N-benzyl-7-phenylheptan-1-amine

C20H27N — CID 18790248

IUPACN-benzyl-7-phenylheptan-1-amine
SMILESc1ccc(CCCCCCCNCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1(2-6-12-19-13-7-4-8-14-19)3-11-17-21-18-20-15-9-5-10-16-20/h4-5,7-10,13-16,21H,1-3,6,11-12,17-18H2
InChIKeyVCUXINPZERVGTO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.97
Rot. Bonds10

About N-benzyl-7-phenylheptan-1-amine

N-benzyl-7-phenylheptan-1-amine (PubChem CID 18790248) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-benzyl-7-phenylheptan-1-amine.

Molecular Properties

Compound NameN-benzyl-7-phenylheptan-1-amine
PubChem CID18790248
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-benzyl-7-phenylheptan-1-amine
SMILESc1ccc(CCCCCCCNCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1(2-6-12-19-13-7-4-8-14-19)3-11-17-21-18-20-15-9-5-10-16-20/h4-5,7-10,13-16,21H,1-3,6,11-12,17-18H2
InChIKeyVCUXINPZERVGTO-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-7-phenylheptan-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-benzyl-7-phenylheptan-1-amine?
The IUPAC name of N-benzyl-7-phenylheptan-1-amine (CID 18790248) is N-benzyl-7-phenylheptan-1-amine.
What is the SMILES notation for N-benzyl-7-phenylheptan-1-amine?
The canonical SMILES for N-benzyl-7-phenylheptan-1-amine is c1ccc(CCCCCCCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-7-phenylheptan-1-amine?
The InChIKey is VCUXINPZERVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1(2-6-12-19-13-7-4-8-14-19)3-11-17-21-18-20-15-9-5-10-16-20/h4-5,7-10,13-16,21H,1-3,6,11-12,17-18H2.
What are the key properties of N-benzyl-7-phenylheptan-1-amine?
N-benzyl-7-phenylheptan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-phenylheptan-1-amine is sourced from PubChem (CID 18790248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).