2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine

C5H12N4O — CID 5474517

IUPAC2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine
SMILESC/C(CCO)=N/N=C(N)N
InChIInChI=1S/C5H12N4O/c1-4(2-3-10)8-9-5(6)7/h10H,2-3H2,1H3,(H4,6,7,9)/b8-4-
InChIKeyMMNYGOUHTRLQSX-YWEYNIOJSA-N
MW144.18 g/mol
LogP-0.98
Rot. Bonds3

About 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine

2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine (PubChem CID 5474517) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine
PubChem CID5474517
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine
SMILESC/C(CCO)=N/N=C(N)N
InChIInChI=1S/C5H12N4O/c1-4(2-3-10)8-9-5(6)7/h10H,2-3H2,1H3,(H4,6,7,9)/b8-4-
InChIKeyMMNYGOUHTRLQSX-YWEYNIOJSA-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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Related Compounds

2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine;hydrochloride
CID 54611778
3-Iminobutan-1-ol
CID 54468047
2,3-Diiminobutan-1-ol
CID 145039508
2-(4-Hydroxybutan-2-ylideneamino)guanidine
CID 416058
2-[(E)-4-hydroxybutan-2-ylideneamino]guanidine
CID 9573087
2-(4-Methoxybutan-2-ylideneamino)guanidine
CID 77060038
3-Hydrazinylidenebutan-1-ol
CID 130724147

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine?
The IUPAC name of 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine (CID 5474517) is 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine is C/C(CCO)=N/N=C(N)N.
What is the InChIKey of 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine?
The InChIKey is MMNYGOUHTRLQSX-YWEYNIOJSA-N. The full InChI is InChI=1S/C5H12N4O/c1-4(2-3-10)8-9-5(6)7/h10H,2-3H2,1H3,(H4,6,7,9)/b8-4-.
What are the key properties of 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine?
2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine 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 2-[(Z)-4-hydroxybutan-2-ylideneamino]guanidine is sourced from PubChem (CID 5474517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).