3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine

C12H23N — CID 146861347

IUPAC3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine
SMILESCC1CC2CC(C)(C)CC(N)(C1)C2
InChIInChI=1S/C12H23N/c1-9-4-10-6-11(2,3)8-12(13,5-9)7-10/h9-10H,4-8,13H2,1-3H3
InChIKeyIBWHGEAEZRBFSQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds

About 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine

3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine (PubChem CID 146861347) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine.

Molecular Properties

Compound Name3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine
PubChem CID146861347
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine
SMILESCC1CC2CC(C)(C)CC(N)(C1)C2
InChIInChI=1S/C12H23N/c1-9-4-10-6-11(2,3)8-12(13,5-9)7-10/h9-10H,4-8,13H2,1-3H3
InChIKeyIBWHGEAEZRBFSQ-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine
CID 170605950
3,4-dimethyladamantan-1-amine
CID 67779932
(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
CID 56845538
(1-amino-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl) [4-(methoxyamino)phenyl] carbonate
CID 174306600
3-aminoadamantane-1-carboxamide
CID 67083536
1-(aminomethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662987
1-(1,3-dihydroisoindol-2-yl)ethanone;3,7-dimethylbicyclo[3.3.1]nonane-1,3-diamine;1-methyl-4-phenylbenzene
CID 170605949
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158
(5S,7R)-3-chloroadamantan-1-amine
CID 24721241
(5S,7R)-3-bromoadamantan-1-amine
CID 97466147
methyl (5R,7R)-3-aminoadamantane-1-carboxylate
CID 23309146
1-tert-butyl-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
CID 91108760

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
The IUPAC name of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine (CID 146861347) is 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine.
What is the SMILES notation for 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
The canonical SMILES for 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine is CC1CC2CC(C)(C)CC(N)(C1)C2.
What is the InChIKey of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
The InChIKey is IBWHGEAEZRBFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9-4-10-6-11(2,3)8-12(13,5-9)7-10/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine?
3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethylbicyclo[3.3.1]nonan-1-amine is sourced from PubChem (CID 146861347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).