N,3-dimethylhept-4-en-1-amine

C9H19N — CID 123476227

IUPACN,3-dimethylhept-4-en-1-amine
SMILESCCC=CC(C)CCNC
InChIInChI=1S/C9H19N/c1-4-5-6-9(2)7-8-10-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOTKHVXZVQNBOHM-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds5

About N,3-dimethylhept-4-en-1-amine

N,3-dimethylhept-4-en-1-amine (PubChem CID 123476227) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,3-dimethylhept-4-en-1-amine.

Molecular Properties

Compound NameN,3-dimethylhept-4-en-1-amine
PubChem CID123476227
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,3-dimethylhept-4-en-1-amine
SMILESCCC=CC(C)CCNC
InChIInChI=1S/C9H19N/c1-4-5-6-9(2)7-8-10-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOTKHVXZVQNBOHM-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-dimethylhept-4-en-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 N,3-dimethylhept-4-en-1-amine?
The IUPAC name of N,3-dimethylhept-4-en-1-amine (CID 123476227) is N,3-dimethylhept-4-en-1-amine.
What is the SMILES notation for N,3-dimethylhept-4-en-1-amine?
The canonical SMILES for N,3-dimethylhept-4-en-1-amine is CCC=CC(C)CCNC.
What is the InChIKey of N,3-dimethylhept-4-en-1-amine?
The InChIKey is OTKHVXZVQNBOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-9(2)7-8-10-3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of N,3-dimethylhept-4-en-1-amine?
N,3-dimethylhept-4-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylhept-4-en-1-amine is sourced from PubChem (CID 123476227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).