N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine

C17H34BrN — CID 105343672

IUPACN-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)CCCCCCCCCBr)C1
InChIInChI=1S/C17H34BrN/c1-16-11-10-12-17(15-16)19(2)14-9-7-5-3-4-6-8-13-18/h16-17H,3-15H2,1-2H3
InChIKeyQBVBCSMCPPKFTK-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.62
Rot. Bonds10

About N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine

N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine (PubChem CID 105343672) has the molecular formula C17H34BrN and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
PubChem CID105343672
Molecular FormulaC17H34BrN
Molecular Weight332.37 g/mol
Exact Mass331.19
IUPAC NameN-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)CCCCCCCCCBr)C1
InChIInChI=1S/C17H34BrN/c1-16-11-10-12-17(15-16)19(2)14-9-7-5-3-4-6-8-13-18/h16-17H,3-15H2,1-2H3
InChIKeyQBVBCSMCPPKFTK-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine (CID 105343672) is N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine is CC1CCCC(N(C)CCCCCCCCCBr)C1.
What is the InChIKey of N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine?
The InChIKey is QBVBCSMCPPKFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrN/c1-16-11-10-12-17(15-16)19(2)14-9-7-5-3-4-6-8-13-18/h16-17H,3-15H2,1-2H3.
What are the key properties of N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine?
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine has a molecular weight of 332.37 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105343672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).