N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide

C7H13N3 — CID 129196479

IUPACN'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(N)/C=C(C)\N=C(/C)N
InChIInChI=1S/C7H13N3/c1-5(8)4-6(2)10-7(3)9/h4H,1,8H2,2-3H3,(H2,9,10)/b6-4-
InChIKeyIMBUWKMRQONPHH-XQRVVYSFSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide

N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide (PubChem CID 129196479) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide
PubChem CID129196479
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(N)/C=C(C)\N=C(/C)N
InChIInChI=1S/C7H13N3/c1-5(8)4-6(2)10-7(3)9/h4H,1,8H2,2-3H3,(H2,9,10)/b6-4-
InChIKeyIMBUWKMRQONPHH-XQRVVYSFSA-N
XLogP0.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide (CID 129196479) is N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide is C=C(N)/C=C(C)\N=C(/C)N.
What is the InChIKey of N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide?
The InChIKey is IMBUWKMRQONPHH-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(8)4-6(2)10-7(3)9/h4H,1,8H2,2-3H3,(H2,9,10)/b6-4-.
What are the key properties of N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide?
N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 129196479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).