9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

C18H34N2 — CID 81320651

IUPAC9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1CC(C)(C)CCC1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C18H34N2/c1-13-12-18(2,3)9-8-17(13)19-14-10-15-6-5-7-16(11-14)20(15)4/h13-17,19H,5-12H2,1-4H3
InChIKeyVHNOWRQDYJNYHV-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds2

About 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 81320651) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID81320651
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1CC(C)(C)CCC1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C18H34N2/c1-13-12-18(2,3)9-8-17(13)19-14-10-15-6-5-7-16(11-14)20(15)4/h13-17,19H,5-12H2,1-4H3
InChIKeyVHNOWRQDYJNYHV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
N-(2-tert-butylcyclohexyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472154
N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320577
1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one
CID 103902398
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114503286
N-(1-azabicyclo[2.2.2]octan-3-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472361
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
N-(3,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 80693580
N-(2-ethyl-2-methyloxan-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472937
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 81320651) is 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is CC1CC(C)(C)CCC1NC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is VHNOWRQDYJNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13-12-18(2,3)9-8-17(13)19-14-10-15-6-5-7-16(11-14)20(15)4/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 81320651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).