9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H34N2 — CID 65472549

IUPAC9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCCCCCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C17H34N2/c1-3-4-5-6-7-8-12-18-15-13-16-10-9-11-17(14-15)19(16)2/h15-18H,3-14H2,1-2H3
InChIKeyLUBVGUPADJBYRI-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds8

About 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472549) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472549
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCCCCCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C17H34N2/c1-3-4-5-6-7-8-12-18-15-13-16-10-9-11-17(14-15)19(16)2/h15-18H,3-14H2,1-2H3
InChIKeyLUBVGUPADJBYRI-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-methyl-N-octyl-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

N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470840
9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106723889
N-hexyl-3-propan-2-ylcyclohexan-1-amine
CID 107447898
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
N-dodecylcyclohexanamine
CID 3679395
9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104807094
8-methyl-N-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63981872
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472549) is 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCCCCCCNC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is LUBVGUPADJBYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-4-5-6-7-8-12-18-15-13-16-10-9-11-17(14-15)19(16)2/h15-18H,3-14H2,1-2H3.
What are the key properties of 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).