2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine

C21H44N2 — CID 19026115

IUPAC2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine
SMILESCC(C)CCC(CCC(C)C)NCCCN1CCCC(C)CC1
InChIInChI=1S/C21H44N2/c1-18(2)9-11-21(12-10-19(3)4)22-14-7-16-23-15-6-8-20(5)13-17-23/h18-22H,6-17H2,1-5H3
InChIKeyADMUHCPQQPIHBO-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.33
Rot. Bonds11

About 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine

2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine (PubChem CID 19026115) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine.

Molecular Properties

Compound Name2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine
PubChem CID19026115
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine
SMILESCC(C)CCC(CCC(C)C)NCCCN1CCCC(C)CC1
InChIInChI=1S/C21H44N2/c1-18(2)9-11-21(12-10-19(3)4)22-14-7-16-23-15-6-8-20(5)13-17-23/h18-22H,6-17H2,1-5H3
InChIKeyADMUHCPQQPIHBO-UHFFFAOYSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-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 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine?
The IUPAC name of 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine (CID 19026115) is 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine.
What is the SMILES notation for 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine?
The canonical SMILES for 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine is CC(C)CCC(CCC(C)C)NCCCN1CCCC(C)CC1.
What is the InChIKey of 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine?
The InChIKey is ADMUHCPQQPIHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-18(2)9-11-21(12-10-19(3)4)22-14-7-16-23-15-6-8-20(5)13-17-23/h18-22H,6-17H2,1-5H3.
What are the key properties of 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine?
2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine has a molecular weight of 324.60 g/mol, XLogP of 5.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[3-(4-methylazepan-1-yl)propyl]nonan-5-amine is sourced from PubChem (CID 19026115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).