N,N-dimethylhepta-2,4-dien-2-amine

C9H17N — CID 123669915

IUPACN,N-dimethylhepta-2,4-dien-2-amine
SMILESCCC=CC=C(C)N(C)C
InChIInChI=1S/C9H17N/c1-5-6-7-8-9(2)10(3)4/h6-8H,5H2,1-4H3
InChIKeyKOAWHRBZHOXDFF-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.42
Rot. Bonds3

About N,N-dimethylhepta-2,4-dien-2-amine

N,N-dimethylhepta-2,4-dien-2-amine (PubChem CID 123669915) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N-dimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound NameN,N-dimethylhepta-2,4-dien-2-amine
PubChem CID123669915
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N-dimethylhepta-2,4-dien-2-amine
SMILESCCC=CC=C(C)N(C)C
InChIInChI=1S/C9H17N/c1-5-6-7-8-9(2)10(3)4/h6-8H,5H2,1-4H3
InChIKeyKOAWHRBZHOXDFF-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethylhepta-2,4-dien-2-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,N-dimethylhepta-2,4-dien-2-amine?
The IUPAC name of N,N-dimethylhepta-2,4-dien-2-amine (CID 123669915) is N,N-dimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for N,N-dimethylhepta-2,4-dien-2-amine?
The canonical SMILES for N,N-dimethylhepta-2,4-dien-2-amine is CCC=CC=C(C)N(C)C.
What is the InChIKey of N,N-dimethylhepta-2,4-dien-2-amine?
The InChIKey is KOAWHRBZHOXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-7-8-9(2)10(3)4/h6-8H,5H2,1-4H3.
What are the key properties of N,N-dimethylhepta-2,4-dien-2-amine?
N,N-dimethylhepta-2,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 123669915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).