(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine

C10H15N — CID 143240550

IUPAC(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
SMILESC=CC(=C)/C(=C\C(=C)C)NC
InChIInChI=1S/C10H15N/c1-6-9(4)10(11-5)7-8(2)3/h6-7,11H,1-2,4H2,3,5H3/b10-7+
InChIKeyAEPUBZLRWKNRRI-JXMROGBWSA-N
MW149.24 g/mol
LogP2.41
Rot. Bonds4

About (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine

(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine (PubChem CID 143240550) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine.

Molecular Properties

Compound Name(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
PubChem CID143240550
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
SMILESC=CC(=C)/C(=C\C(=C)C)NC
InChIInChI=1S/C10H15N/c1-6-9(4)10(11-5)7-8(2)3/h6-7,11H,1-2,4H2,3,5H3/b10-7+
InChIKeyAEPUBZLRWKNRRI-JXMROGBWSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-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

(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
CID 15914369
N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
CID 178001749
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(3Z)-3-(methylamino)penta-1,3-dien-2-ol
CID 89219015

Frequently Asked Questions

What is the IUPAC name of (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine?
The IUPAC name of (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine (CID 143240550) is (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine.
What is the SMILES notation for (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine?
The canonical SMILES for (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine is C=CC(=C)/C(=C\C(=C)C)NC.
What is the InChIKey of (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine?
The InChIKey is AEPUBZLRWKNRRI-JXMROGBWSA-N. The full InChI is InChI=1S/C10H15N/c1-6-9(4)10(11-5)7-8(2)3/h6-7,11H,1-2,4H2,3,5H3/b10-7+.
What are the key properties of (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine?
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine has a molecular weight of 149.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine is sourced from PubChem (CID 143240550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).