(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine

C7H13N3 — CID 143058861

IUPAC(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine
SMILESC=CC(=C/N)/C(=C\N)NC
InChIInChI=1S/C7H13N3/c1-3-6(4-8)7(5-9)10-2/h3-5,10H,1,8-9H2,2H3/b6-4-,7-5+
InChIKeyGACAPZZZUOEPKE-XGXWUAJZSA-N
MW139.20 g/mol
LogP0.03
Rot. Bonds3

About (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine

(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine (PubChem CID 143058861) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine
PubChem CID143058861
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine
SMILESC=CC(=C/N)/C(=C\N)NC
InChIInChI=1S/C7H13N3/c1-3-6(4-8)7(5-9)10-2/h3-5,10H,1,8-9H2,2H3/b6-4-,7-5+
InChIKeyGACAPZZZUOEPKE-XGXWUAJZSA-N
XLogP0.03
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methylenpyrrolin
CID 20094660
(Z,3R)-N-buta-1,3-dien-2-yl-3-fluoro-2-methylbut-1-en-1-amine
CID 163955206
(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole
CID 177159990
CID 139244220
CID 139244220
3-methyl-2-methylidene-1H-pyridine
CID 19869876
2,3-dimethylidene-1H-pyrrole
CID 23571380
4-Methyl-2-methylene-1,2-dihydropyridine
CID 45079877
N-ethyl-3-methylbuta-1,3-dien-1-amine
CID 59957396
N,3-dimethylbuta-1,3-dien-1-amine
CID 59971352
(1,1-Dimethylpyrrol-1-ium-3-yl)methanamine
CID 69647614
1H-pyridin-4-ylidenemethanamine
CID 70072769
(E)-2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine
CID 88223784

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine?
The IUPAC name of (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine (CID 143058861) is (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine.
What is the SMILES notation for (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine?
The canonical SMILES for (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine is C=CC(=C/N)/C(=C\N)NC.
What is the InChIKey of (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine?
The InChIKey is GACAPZZZUOEPKE-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-6(4-8)7(5-9)10-2/h3-5,10H,1,8-9H2,2H3/b6-4-,7-5+.
What are the key properties of (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine?
(1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine has a molecular weight of 139.20 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-ethenyl-2-N-methylbuta-1,3-diene-1,2,4-triamine is sourced from PubChem (CID 143058861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).