(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine

C9H15N — CID 142809579

IUPAC(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C(C)=C/C
InChIInChI=1S/C9H15N/c1-5-8(4)6-9(10)7(2)3/h5-6H,2,10H2,1,3-4H3/b8-5-,9-6+
InChIKeyJAKBFQBPZZTZEL-LDFAFZTOSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds2

About (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine

(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine (PubChem CID 142809579) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
PubChem CID142809579
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C(C)=C/C
InChIInChI=1S/C9H15N/c1-5-8(4)6-9(10)7(2)3/h5-6H,2,10H2,1,3-4H3/b8-5-,9-6+
InChIKeyJAKBFQBPZZTZEL-LDFAFZTOSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-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

2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
(3E)-5-tert-butyl-2-methylhepta-1,3,5-trien-3-amine
CID 143941928
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
(4E,6Z)-2,6-dimethyl-3-methylidene-4-prop-1-en-2-ylocta-1,4,6-triene
CID 153356652
(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
CID 144541052
(4Z,6Z)-4-amino-6-methyl-3-oxoocta-4,6-dienal
CID 144627907
(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
CID 137466995
(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
1-[(Z)-[(Z)-2-methylbut-2-enylidene]amino]ethenamine
CID 139439356
(4Z,6Z)-6-methylocta-4,6-dien-4-amine
CID 139365447

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine (CID 142809579) is (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine is C=C(C)/C(N)=C\C(C)=C/C.
What is the InChIKey of (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine?
The InChIKey is JAKBFQBPZZTZEL-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8(4)6-9(10)7(2)3/h5-6H,2,10H2,1,3-4H3/b8-5-,9-6+.
What are the key properties of (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine?
(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 142809579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).