(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine

C8H13N — CID 143349848

IUPAC(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C\N(C)C=C
InChIInChI=1S/C8H13N/c1-5-8(3)7-9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7-
InChIKeyGTEJGHPKTNEOHG-FPLPWBNLSA-N
MW123.20 g/mol
LogP2.15
Rot. Bonds3

About (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine

(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine (PubChem CID 143349848) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
PubChem CID143349848
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C\N(C)C=C
InChIInChI=1S/C8H13N/c1-5-8(3)7-9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7-
InChIKeyGTEJGHPKTNEOHG-FPLPWBNLSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-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

(1E,3Z,5E)-N-ethenyl-N,2-dimethyl-5-prop-1-en-2-ylhepta-1,3,5-trien-1-amine
CID 155480081
(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
CID 156522414
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
[(1E)-2-methylbuta-1,3-dienyl]phosphane
CID 118945946
2-methylbuta-1,3-dienyl-λ2-plumbane
CID 173091187
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol
CID 145222265
N-ethenyl-N-methylprop-1-en-1-amine
CID 72587772
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 142804788
(E)-N-ethenyl-N-methylprop-1-en-1-amine
CID 18732256
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 143502225

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine (CID 143349848) is (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine is C=C/C(C)=C\N(C)C=C.
What is the InChIKey of (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine?
The InChIKey is GTEJGHPKTNEOHG-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H13N/c1-5-8(3)7-9(4)6-2/h5-7H,1-2H2,3-4H3/b8-7-.
What are the key properties of (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine?
(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143349848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).