6-methyl-N-pent-1-en-2-ylheptan-1-amine

C13H27N — CID 118391811

IUPAC6-methyl-N-pent-1-en-2-ylheptan-1-amine
SMILESC=C(CCC)NCCCCCC(C)C
InChIInChI=1S/C13H27N/c1-5-9-13(4)14-11-8-6-7-10-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyOPTWWSMUEHGNTO-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.11
Rot. Bonds9

About 6-methyl-N-pent-1-en-2-ylheptan-1-amine

6-methyl-N-pent-1-en-2-ylheptan-1-amine (PubChem CID 118391811) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 6-methyl-N-pent-1-en-2-ylheptan-1-amine.

Molecular Properties

Compound Name6-methyl-N-pent-1-en-2-ylheptan-1-amine
PubChem CID118391811
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name6-methyl-N-pent-1-en-2-ylheptan-1-amine
SMILESC=C(CCC)NCCCCCC(C)C
InChIInChI=1S/C13H27N/c1-5-9-13(4)14-11-8-6-7-10-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyOPTWWSMUEHGNTO-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-N-pent-1-en-2-ylheptan-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 6-methyl-N-pent-1-en-2-ylheptan-1-amine?
The IUPAC name of 6-methyl-N-pent-1-en-2-ylheptan-1-amine (CID 118391811) is 6-methyl-N-pent-1-en-2-ylheptan-1-amine.
What is the SMILES notation for 6-methyl-N-pent-1-en-2-ylheptan-1-amine?
The canonical SMILES for 6-methyl-N-pent-1-en-2-ylheptan-1-amine is C=C(CCC)NCCCCCC(C)C.
What is the InChIKey of 6-methyl-N-pent-1-en-2-ylheptan-1-amine?
The InChIKey is OPTWWSMUEHGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-9-13(4)14-11-8-6-7-10-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of 6-methyl-N-pent-1-en-2-ylheptan-1-amine?
6-methyl-N-pent-1-en-2-ylheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pent-1-en-2-ylheptan-1-amine is sourced from PubChem (CID 118391811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).