(2E)-5-ethylhepta-2,4-dien-3-amine

C9H17N — CID 167246205

IUPAC(2E)-5-ethylhepta-2,4-dien-3-amine
SMILESC/C=C(/N)C=C(CC)CC
InChIInChI=1S/C9H17N/c1-4-8(5-2)7-9(10)6-3/h6-7H,4-5,10H2,1-3H3/b9-6+
InChIKeyQYBHMNYNWAQXMZ-RMKNXTFCSA-N
MW139.24 g/mol
LogP2.60
Rot. Bonds3

About (2E)-5-ethylhepta-2,4-dien-3-amine

(2E)-5-ethylhepta-2,4-dien-3-amine (PubChem CID 167246205) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E)-5-ethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E)-5-ethylhepta-2,4-dien-3-amine
PubChem CID167246205
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E)-5-ethylhepta-2,4-dien-3-amine
SMILESC/C=C(/N)C=C(CC)CC
InChIInChI=1S/C9H17N/c1-4-8(5-2)7-9(10)6-3/h6-7H,4-5,10H2,1-3H3/b9-6+
InChIKeyQYBHMNYNWAQXMZ-RMKNXTFCSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-5-ethylhepta-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

Related Compounds

(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine
CID 89336328
(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol
CID 129092981
5-ethyl-3-(methoxymethyl)hepta-2,4-diene
CID 123423064
(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
CID 134214023
2-ethylhexa-2,4-dienyl carbamate
CID 123678203
3-ethylpent-2-en-1-amine
CID 63969670
3-(chloromethyl)pent-2-ene
CID 123349143
(1E,3Z)-2,4-diaminohexa-1,3-diene-1-thiol
CID 146393049
(2E,4E)-4-amino-2-methylhexa-2,4-diene-1-sulfonamide
CID 163421018
(Z)-3-ethylpent-3-en-1-ol
CID 21279610
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine
CID 143325011

Frequently Asked Questions

What is the IUPAC name of (2E)-5-ethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E)-5-ethylhepta-2,4-dien-3-amine (CID 167246205) is (2E)-5-ethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E)-5-ethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E)-5-ethylhepta-2,4-dien-3-amine is C/C=C(/N)C=C(CC)CC.
What is the InChIKey of (2E)-5-ethylhepta-2,4-dien-3-amine?
The InChIKey is QYBHMNYNWAQXMZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17N/c1-4-8(5-2)7-9(10)6-3/h6-7H,4-5,10H2,1-3H3/b9-6+.
What are the key properties of (2E)-5-ethylhepta-2,4-dien-3-amine?
(2E)-5-ethylhepta-2,4-dien-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-ethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 167246205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).