1-Azatricyclo(3.3.1.13,7)decane

HCID 136106CAS 281-27-6
Substructure searchFind similar structures

Basic information

Standard SMILES
C1C2CC3CC1CN(C2)C3
InChIKey
WENISBCJPGSITQ-UHFFFAOYSA-N
Molecular formula
C9H15N
Average molar mass
137.22 g/mol
Monoisotopic mass
137.12044948

Names & identifiers

Preferred name
1-Azatricyclo(3.3.1.13,7)decane
IUPAC
1-azatricyclo[3.3.1.13,7]decane
English name
1-Azaadamantane
Molecular formula
C9H15N
Molecular weight
137.22

Names & synonyms

281-27-61-Azatricyclo(3.3.1.13,7)decane1-Azatricyclo[3.3.1.13,7]decaneDTXSID60182376RefChem:1054870DTXCID701048671-Azaadamantane1-azatricyclo[3.3.1.1~3,7~]decaneazaadamantaneSCHEMBL875052SCHEMBL997929SCHEMBL8295915
Show more names
SCHEMBL8301663SCHEMBL8692377WENISBCJPGSITQ-UHFFFAOYSA-N1-aza-tricyclo[3.3.1.1*3,7*]decaneInChI=1/C9H15N/c1-7-2-9-3-8(1)5-10(4-7)6-9/h7-9H,1-6H

Database identifiers

CAS
281-27-6
PubChem CID
136106
DTXSID
DTXSID60182376
Nikkaji
J79.574G

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
257 · 257-258 °C
Boiling point
196.2 · 196.2±8.0 °C(Predicted)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
pka
10.01 · 10.01±0.20(Predicted)

Related reactions

1 records
New reaction record

Linked notes

Loading…