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

C6H11N3 — CID 143501883

IUPAC(E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine
SMILESC=C/C(CN)=C(/N)N=C
InChIInChI=1S/C6H11N3/c1-3-5(4-7)6(8)9-2/h3H,1-2,4,7-8H2/b6-5+
InChIKeyBHUNTLJVYRGICT-AATRIKPKSA-N
MW125.17 g/mol
LogP0.00
Rot. Bonds3

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

(E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine (PubChem CID 143501883) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine
PubChem CID143501883
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine
SMILESC=C/C(CN)=C(/N)N=C
InChIInChI=1S/C6H11N3/c1-3-5(4-7)6(8)9-2/h3H,1-2,4,7-8H2/b6-5+
InChIKeyBHUNTLJVYRGICT-AATRIKPKSA-N
XLogP0.00
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.00
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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Related Compounds

2,3-Dimethylidene-1-(methylideneamino)pent-4-en-1-amine
CID 23372026
(Z)-2-methylidene-4-(methylideneamino)but-3-en-1-amine
CID 141990724
(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142166152
(1Z)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 142970723
(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine
CID 143958095
(2E)-2-[(methylideneamino)methylidene]but-3-en-1-amine;molecular hydrogen
CID 145375169
(1Z)-3-methylidene-1-(methylideneamino)penta-1,4-dien-1-amine
CID 168181137
(E)-2-ethenyl-N-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine
CID 172287316
(1E)-2-methyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 168926495

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
The IUPAC name of (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine (CID 143501883) is (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine is C=C/C(CN)=C(/N)N=C.
What is the InChIKey of (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
The InChIKey is BHUNTLJVYRGICT-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-5(4-7)6(8)9-2/h3H,1-2,4,7-8H2/b6-5+.
What are the key properties of (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine?
(E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine has a molecular weight of 125.17 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-1-(methylideneamino)prop-1-ene-1,3-diamine is sourced from PubChem (CID 143501883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).