9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine

C16H32N2 — CID 62713835

IUPAC9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCCCC(C)N1C2CCCC1CC(N)C2
InChIInChI=1S/C16H32N2/c1-3-4-5-6-8-13(2)18-15-9-7-10-16(18)12-14(17)11-15/h13-16H,3-12,17H2,1-2H3
InChIKeyMHIXHHFNCXOPSK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.69
Rot. Bonds6

About 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine

9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713835) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713835
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCCCC(C)N1C2CCCC1CC(N)C2
InChIInChI=1S/C16H32N2/c1-3-4-5-6-8-13(2)18-15-9-7-10-16(18)12-14(17)11-15/h13-16H,3-12,17H2,1-2H3
InChIKeyMHIXHHFNCXOPSK-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-octan-2-yl-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

9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714722
9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63011813
7-heptan-2-yl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 80558528
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543
1-dodecan-2-ylpyrrolidine
CID 70871228
1-N-heptan-2-ylcyclohexane-1,3-diamine
CID 79459220
1-octan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471558
3-methyl-2-octan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926950
3-nonan-2-yl-1,3-oxazetidine
CID 134510422
3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
CID 126703648
1-cyclobutylnonan-1-amine
CID 64986616
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one
CID 65427706

Frequently Asked Questions

What is the IUPAC name of 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713835) is 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine is CCCCCCC(C)N1C2CCCC1CC(N)C2.
What is the InChIKey of 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is MHIXHHFNCXOPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-6-8-13(2)18-15-9-7-10-16(18)12-14(17)11-15/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine?
9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).