(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine

C10H15N — CID 144989388

IUPAC(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine
SMILESC=C/C(=C\C=C(C)C)C(=C)N
InChIInChI=1S/C10H15N/c1-5-10(9(4)11)7-6-8(2)3/h5-7H,1,4,11H2,2-3H3/b10-7+
InChIKeyZBNRLBZCYPIFRN-JXMROGBWSA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds3

About (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine

(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine (PubChem CID 144989388) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine
PubChem CID144989388
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine
SMILESC=C/C(=C\C=C(C)C)C(=C)N
InChIInChI=1S/C10H15N/c1-5-10(9(4)11)7-6-8(2)3/h5-7H,1,4,11H2,2-3H3/b10-7+
InChIKeyZBNRLBZCYPIFRN-JXMROGBWSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-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

Related Compounds

(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide
CID 143537034
(4E)-4-ethenyl-2,7-dimethylocta-4,6-dien-3-one
CID 142078269
acetamide;prop-2-enamide
CID 158566181
(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
CID 137466995
(2Z,5E)-5-ethenyl-8-methylnona-2,5,7-trien-4-imine
CID 156706976
ethane;(3E,6E)-6-ethenyl-9-methyl-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 144664030
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(3E)-3-amino-6-methylhepta-1,3,5-trien-2-ol
CID 170407811
(3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
CID 142924212
(3Z,5E)-5-chloro-3-ethenylhepta-1,3,5-trien-2-amine
CID 144617687
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
CID 19070332
(2E,4E)-5-ethenyl-2,6-dimethylhepta-2,4,6-trienoic acid
CID 144874397

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine (CID 144989388) is (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine is C=C/C(=C\C=C(C)C)C(=C)N.
What is the InChIKey of (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine?
The InChIKey is ZBNRLBZCYPIFRN-JXMROGBWSA-N. The full InChI is InChI=1S/C10H15N/c1-5-10(9(4)11)7-6-8(2)3/h5-7H,1,4,11H2,2-3H3/b10-7+.
What are the key properties of (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine?
(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 144989388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).