N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine

C14H25N — CID 115325152

IUPACN-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)CCCCNC1CC2CC=CC21
InChIInChI=1S/C14H25N/c1-11(2)6-3-4-9-15-14-10-12-7-5-8-13(12)14/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3
InChIKeyCZFMBZDRSZTYKB-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.37
Rot. Bonds6

About N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 115325152) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID115325152
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)CCCCNC1CC2CC=CC21
InChIInChI=1S/C14H25N/c1-11(2)6-3-4-9-15-14-10-12-7-5-8-13(12)14/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3
InChIKeyCZFMBZDRSZTYKB-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-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-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 115325152) is N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine is CC(C)CCCCNC1CC2CC=CC21.
What is the InChIKey of N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is CZFMBZDRSZTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11(2)6-3-4-9-15-14-10-12-7-5-8-13(12)14/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 207.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 115325152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).