(2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine

C10H19N — CID 88856578

IUPAC(2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)C)N(C)C
InChIInChI=1S/C10H19N/c1-6-10(11(4)5)8-7-9(2)3/h6-9H,1-5H3/b8-7-,10-6+
InChIKeyKETJXPXONVYXKL-SDHBEMGISA-N
MW153.27 g/mol
LogP2.66
Rot. Bonds3

About (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine

(2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine (PubChem CID 88856578) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine
PubChem CID88856578
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C/C(C)C)N(C)C
InChIInChI=1S/C10H19N/c1-6-10(11(4)5)8-7-9(2)3/h6-9H,1-5H3/b8-7-,10-6+
InChIKeyKETJXPXONVYXKL-SDHBEMGISA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-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,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine (CID 88856578) is (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine is C/C=C(\C=C/C(C)C)N(C)C.
What is the InChIKey of (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine?
The InChIKey is KETJXPXONVYXKL-SDHBEMGISA-N. The full InChI is InChI=1S/C10H19N/c1-6-10(11(4)5)8-7-9(2)3/h6-9H,1-5H3/b8-7-,10-6+.
What are the key properties of (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine?
(2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N,6-trimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 88856578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).