(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine

C9H17N — CID 163732372

IUPAC(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine
SMILESC/C(N)=C\C(C)=C\C(C)C
InChIInChI=1S/C9H17N/c1-7(2)5-8(3)6-9(4)10/h5-7H,10H2,1-4H3/b8-5+,9-6+
InChIKeyLAROLDIYMVRBLV-XVYDYJIPSA-N
MW139.24 g/mol
LogP2.45
Rot. Bonds2

About (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine

(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine (PubChem CID 163732372) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine
PubChem CID163732372
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine
SMILESC/C(N)=C\C(C)=C\C(C)C
InChIInChI=1S/C9H17N/c1-7(2)5-8(3)6-9(4)10/h5-7H,10H2,1-4H3/b8-5+,9-6+
InChIKeyLAROLDIYMVRBLV-XVYDYJIPSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-4,6-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 (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine (CID 163732372) is (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine is C/C(N)=C\C(C)=C\C(C)C.
What is the InChIKey of (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine?
The InChIKey is LAROLDIYMVRBLV-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)5-8(3)6-9(4)10/h5-7H,10H2,1-4H3/b8-5+,9-6+.
What are the key properties of (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine?
(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 163732372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).