N-methylbicyclo[8.7.0]heptadecan-13-amine

C18H35N — CID 170240030

IUPACN-methylbicyclo[8.7.0]heptadecan-13-amine
SMILESCNC1CCCCC2CCCCCCCCC2CC1
InChIInChI=1S/C18H35N/c1-19-18-13-9-8-12-16-10-6-4-2-3-5-7-11-17(16)14-15-18/h16-19H,2-15H2,1H3
InChIKeyNGWQFBRCWAAILJ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.30
Rot. Bonds1

About N-methylbicyclo[8.7.0]heptadecan-13-amine

N-methylbicyclo[8.7.0]heptadecan-13-amine (PubChem CID 170240030) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-methylbicyclo[8.7.0]heptadecan-13-amine.

Molecular Properties

Compound NameN-methylbicyclo[8.7.0]heptadecan-13-amine
PubChem CID170240030
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-methylbicyclo[8.7.0]heptadecan-13-amine
SMILESCNC1CCCCC2CCCCCCCCC2CC1
InChIInChI=1S/C18H35N/c1-19-18-13-9-8-12-16-10-6-4-2-3-5-7-11-17(16)14-15-18/h16-19H,2-15H2,1H3
InChIKeyNGWQFBRCWAAILJ-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methylbicyclo[8.7.0]heptadecan-13-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-methylbicyclo[8.7.0]heptadecan-13-amine?
The IUPAC name of N-methylbicyclo[8.7.0]heptadecan-13-amine (CID 170240030) is N-methylbicyclo[8.7.0]heptadecan-13-amine.
What is the SMILES notation for N-methylbicyclo[8.7.0]heptadecan-13-amine?
The canonical SMILES for N-methylbicyclo[8.7.0]heptadecan-13-amine is CNC1CCCCC2CCCCCCCCC2CC1.
What is the InChIKey of N-methylbicyclo[8.7.0]heptadecan-13-amine?
The InChIKey is NGWQFBRCWAAILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-19-18-13-9-8-12-16-10-6-4-2-3-5-7-11-17(16)14-15-18/h16-19H,2-15H2,1H3.
What are the key properties of N-methylbicyclo[8.7.0]heptadecan-13-amine?
N-methylbicyclo[8.7.0]heptadecan-13-amine has a molecular weight of 265.48 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbicyclo[8.7.0]heptadecan-13-amine is sourced from PubChem (CID 170240030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).