6-methyl-N-propylhepta-4,5-dien-1-amine

C11H21N — CID 13181238

IUPAC6-methyl-N-propylhepta-4,5-dien-1-amine
SMILESCCCNCCCC=C=C(C)C
InChIInChI=1S/C11H21N/c1-4-9-12-10-7-5-6-8-11(2)3/h6,12H,4-5,7,9-10H2,1-3H3
InChIKeyZQYOVCXUBVXLBC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.89
Rot. Bonds6

About 6-methyl-N-propylhepta-4,5-dien-1-amine

6-methyl-N-propylhepta-4,5-dien-1-amine (PubChem CID 13181238) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-methyl-N-propylhepta-4,5-dien-1-amine.

Molecular Properties

Compound Name6-methyl-N-propylhepta-4,5-dien-1-amine
PubChem CID13181238
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-methyl-N-propylhepta-4,5-dien-1-amine
SMILESCCCNCCCC=C=C(C)C
InChIInChI=1S/C11H21N/c1-4-9-12-10-7-5-6-8-11(2)3/h6,12H,4-5,7,9-10H2,1-3H3
InChIKeyZQYOVCXUBVXLBC-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.89
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-propylhepta-4,5-dien-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-propylhepta-4,5-dien-1-amine?
The IUPAC name of 6-methyl-N-propylhepta-4,5-dien-1-amine (CID 13181238) is 6-methyl-N-propylhepta-4,5-dien-1-amine.
What is the SMILES notation for 6-methyl-N-propylhepta-4,5-dien-1-amine?
The canonical SMILES for 6-methyl-N-propylhepta-4,5-dien-1-amine is CCCNCCCC=C=C(C)C.
What is the InChIKey of 6-methyl-N-propylhepta-4,5-dien-1-amine?
The InChIKey is ZQYOVCXUBVXLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-9-12-10-7-5-6-8-11(2)3/h6,12H,4-5,7,9-10H2,1-3H3.
What are the key properties of 6-methyl-N-propylhepta-4,5-dien-1-amine?
6-methyl-N-propylhepta-4,5-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylhepta-4,5-dien-1-amine is sourced from PubChem (CID 13181238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).