(E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine

C7H12N4 — CID 176548203

IUPAC(E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine
SMILES[H]/N=C/C(N)=C(\N=CC)NC=C
InChIInChI=1S/C7H12N4/c1-3-10-7(11-4-2)6(9)5-8/h3-5,8,10H,1,9H2,2H3/b7-6+,8-5+,11-4?
InChIKeyDRMPYVYHDODGBP-AYNISFDHSA-N
MW152.20 g/mol
LogP0.59
Rot. Bonds4

About (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine

(E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine (PubChem CID 176548203) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine
PubChem CID176548203
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine
SMILES[H]/N=C/C(N)=C(\N=CC)NC=C
InChIInChI=1S/C7H12N4/c1-3-10-7(11-4-2)6(9)5-8/h3-5,8,10H,1,9H2,2H3/b7-6+,8-5+,11-4?
InChIKeyDRMPYVYHDODGBP-AYNISFDHSA-N
XLogP0.59
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine (CID 176548203) is (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine is [H]/N=C/C(N)=C(\N=CC)NC=C.
What is the InChIKey of (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine?
The InChIKey is DRMPYVYHDODGBP-AYNISFDHSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-10-7(11-4-2)6(9)5-8/h3-5,8,10H,1,9H2,2H3/b7-6+,8-5+,11-4?.
What are the key properties of (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine?
(E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 176548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).