(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide

C6H12N4 — CID 89011161

IUPAC(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide
SMILES[H]/N=C(\C=C(\C)N)/N=C(\C)N
InChIInChI=1S/C6H12N4/c1-4(7)3-6(9)10-5(2)8/h3H,7H2,1-2H3,(H3,8,9,10)/b4-3-
InChIKeyLHWLGAKKTRRIMZ-ARJAWSKDSA-N
MW140.19 g/mol
LogP0.20
Rot. Bonds1

About (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide

(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide (PubChem CID 89011161) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide
PubChem CID89011161
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide
SMILES[H]/N=C(\C=C(\C)N)/N=C(\C)N
InChIInChI=1S/C6H12N4/c1-4(7)3-6(9)10-5(2)8/h3H,7H2,1-2H3,(H3,8,9,10)/b4-3-
InChIKeyLHWLGAKKTRRIMZ-ARJAWSKDSA-N
XLogP0.20
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide
CID 130336616
2-Amino-4-methylazet
CID 129754864
3-[(4-Amino-4-iminobut-2-en-2-yl)diazenyl]but-2-enimidamide
CID 53740571
N'-[(Z)-but-2-en-2-yl]ethanimidamide
CID 89771603
(Z)-N'-but-2-en-2-ylbut-2-enimidamide
CID 91264634
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-but-2-en-2-ylethanimidamide
CID 123628782
(E)-N'-carbamimidoylbut-2-enimidamide
CID 123689049
(Z)-N'-prop-1-en-2-ylbut-2-enimidamide
CID 124005322
N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 124033430
(Z)-3-amino-N'-prop-2-enylbut-2-enimidamide
CID 129040046
(E)-2-amino-N'-methanimidoylbut-2-enimidamide
CID 129157149

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide?
The IUPAC name of (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide (CID 89011161) is (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide is [H]/N=C(\C=C(\C)N)/N=C(\C)N.
What is the InChIKey of (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide?
The InChIKey is LHWLGAKKTRRIMZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(7)3-6(9)10-5(2)8/h3H,7H2,1-2H3,(H3,8,9,10)/b4-3-.
What are the key properties of (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide?
(Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide has a molecular weight of 140.19 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(1-aminoethylidene)but-2-enimidamide is sourced from PubChem (CID 89011161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).