(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine

C7H13N3 — CID 143958095

IUPAC(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine
SMILESC=C/C(CNC)=C(/N)N=C
InChIInChI=1S/C7H13N3/c1-4-6(5-9-2)7(8)10-3/h4,9H,1,3,5,8H2,2H3/b7-6+
InChIKeySIPGXOUPPYOMSH-VOTSOKGWSA-N
MW139.20 g/mol
LogP0.26
Rot. Bonds4

About (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine

(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine (PubChem CID 143958095) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine
PubChem CID143958095
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine
SMILESC=C/C(CNC)=C(/N)N=C
InChIInChI=1S/C7H13N3/c1-4-6(5-9-2)7(8)10-3/h4,9H,1,3,5,8H2,2H3/b7-6+
InChIKeySIPGXOUPPYOMSH-VOTSOKGWSA-N
XLogP0.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
The IUPAC name of (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine (CID 143958095) is (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine is C=C/C(CNC)=C(/N)N=C.
What is the InChIKey of (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
The InChIKey is SIPGXOUPPYOMSH-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-6(5-9-2)7(8)10-3/h4,9H,1,3,5,8H2,2H3/b7-6+.
What are the key properties of (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine is sourced from PubChem (CID 143958095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).