(Z)-3-amino-N'-prop-2-enylbut-2-enimidamide

C7H13N3 — CID 129040046

IUPAC(Z)-3-amino-N'-prop-2-enylbut-2-enimidamide
SMILESC=CC/N=C(N)/C=C(/C)N
InChIInChI=1S/C7H13N3/c1-3-4-10-7(9)5-6(2)8/h3,5H,1,4,8H2,2H3,(H2,9,10)/b6-5-
InChIKeyKTBDSHMCNQUXDJ-WAYWQWQTSA-N
MW139.20 g/mol
LogP0.39
Rot. Bonds3

About (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide

(Z)-3-amino-N'-prop-2-enylbut-2-enimidamide (PubChem CID 129040046) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-prop-2-enylbut-2-enimidamide
PubChem CID129040046
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(Z)-3-amino-N'-prop-2-enylbut-2-enimidamide
SMILESC=CC/N=C(N)/C=C(/C)N
InChIInChI=1S/C7H13N3/c1-3-4-10-7(9)5-6(2)8/h3,5H,1,4,8H2,2H3,(H2,9,10)/b6-5-
InChIKeyKTBDSHMCNQUXDJ-WAYWQWQTSA-N
XLogP0.39
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide (CID 129040046) is (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide is C=CC/N=C(N)/C=C(/C)N.
What is the InChIKey of (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide?
The InChIKey is KTBDSHMCNQUXDJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-10-7(9)5-6(2)8/h3,5H,1,4,8H2,2H3,(H2,9,10)/b6-5-.
What are the key properties of (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide?
(Z)-3-amino-N'-prop-2-enylbut-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-prop-2-enylbut-2-enimidamide is sourced from PubChem (CID 129040046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).