N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide

C5H12N4O — CID 139438761

IUPACN'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide
SMILESC/C(N)=N/N=C(\N)CCO
InChIInChI=1S/C5H12N4O/c1-4(6)8-9-5(7)2-3-10/h10H,2-3H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyRONDFFNNDFORMS-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.98
Rot. Bonds3

About N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide

N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide (PubChem CID 139438761) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide
PubChem CID139438761
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC NameN'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide
SMILESC/C(N)=N/N=C(\N)CCO
InChIInChI=1S/C5H12N4O/c1-4(6)8-9-5(7)2-3-10/h10H,2-3H2,1H3,(H2,6,8)(H2,7,9)
InChIKeyRONDFFNNDFORMS-UHFFFAOYSA-N
XLogP-0.98
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide?
The IUPAC name of N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide (CID 139438761) is N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide.
What is the SMILES notation for N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide?
The canonical SMILES for N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide is C/C(N)=N/N=C(\N)CCO.
What is the InChIKey of N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide?
The InChIKey is RONDFFNNDFORMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-4(6)8-9-5(7)2-3-10/h10H,2-3H2,1H3,(H2,6,8)(H2,7,9).
What are the key properties of N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide?
N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide has a molecular weight of 144.18 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-aminoethylideneamino]-3-hydroxypropanimidamide is sourced from PubChem (CID 139438761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).