(1-benzylcyclooctyl)methanamine

C16H25N — CID 80602159

IUPAC(1-benzylcyclooctyl)methanamine
SMILESNCC1(Cc2ccccc2)CCCCCCC1
InChIInChI=1S/C16H25N/c17-14-16(11-7-2-1-3-8-12-16)13-15-9-5-4-6-10-15/h4-6,9-10H,1-3,7-8,11-14,17H2
InChIKeyZGFFFPWRSPWCRH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds3

About (1-benzylcyclooctyl)methanamine

(1-benzylcyclooctyl)methanamine (PubChem CID 80602159) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1-benzylcyclooctyl)methanamine.

Molecular Properties

Compound Name(1-benzylcyclooctyl)methanamine
PubChem CID80602159
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1-benzylcyclooctyl)methanamine
SMILESNCC1(Cc2ccccc2)CCCCCCC1
InChIInChI=1S/C16H25N/c17-14-16(11-7-2-1-3-8-12-16)13-15-9-5-4-6-10-15/h4-6,9-10H,1-3,7-8,11-14,17H2
InChIKeyZGFFFPWRSPWCRH-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1-benzylcyclooctyl)methanamine 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 (1-benzylcyclooctyl)methanamine?
The IUPAC name of (1-benzylcyclooctyl)methanamine (CID 80602159) is (1-benzylcyclooctyl)methanamine.
What is the SMILES notation for (1-benzylcyclooctyl)methanamine?
The canonical SMILES for (1-benzylcyclooctyl)methanamine is NCC1(Cc2ccccc2)CCCCCCC1.
What is the InChIKey of (1-benzylcyclooctyl)methanamine?
The InChIKey is ZGFFFPWRSPWCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c17-14-16(11-7-2-1-3-8-12-16)13-15-9-5-4-6-10-15/h4-6,9-10H,1-3,7-8,11-14,17H2.
What are the key properties of (1-benzylcyclooctyl)methanamine?
(1-benzylcyclooctyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclooctyl)methanamine is sourced from PubChem (CID 80602159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).