2-(3-hydroxyiminopropyl)guanidine

C4H10N4O — CID 86698933

IUPAC2-(3-hydroxyiminopropyl)guanidine
SMILESNC(N)=NCCC=NO
InChIInChI=1S/C4H10N4O/c5-4(6)7-2-1-3-8-9/h3,9H,1-2H2,(H4,5,6,7)
InChIKeyIKIIPNJDPCVNID-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.89
Rot. Bonds3

About 2-(3-hydroxyiminopropyl)guanidine

2-(3-hydroxyiminopropyl)guanidine (PubChem CID 86698933) has the molecular formula C4H10N4O and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-(3-hydroxyiminopropyl)guanidine.

Molecular Properties

Compound Name2-(3-hydroxyiminopropyl)guanidine
PubChem CID86698933
Molecular FormulaC4H10N4O
Molecular Weight130.15 g/mol
Exact Mass130.09
IUPAC Name2-(3-hydroxyiminopropyl)guanidine
SMILESNC(N)=NCCC=NO
InChIInChI=1S/C4H10N4O/c5-4(6)7-2-1-3-8-9/h3,9H,1-2H2,(H4,5,6,7)
InChIKeyIKIIPNJDPCVNID-UHFFFAOYSA-N
XLogP-0.89
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-[(3E)-3-hydroxyiminopropyl]guanidine;2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine
CID 172917922
2-(4-aminohepta-3,5-dienyl)guanidine
CID 88665235
(2Z)-2-[3-(diaminomethylideneamino)propylidene]butanedioic acid
CID 25110755
2-(2-sulfanylethyl)guanidine;hydrobromide
CID 53426976
2-[(4S)-4-amino-5-oxo-6-sulfanylidenehexyl]guanidine
CID 175730846
N-hept-6-enylidenehydroxylamine
CID 153435939
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
2-(4-aminobutyl)guanidine
CID 22560045
N-(4-methylhexylidene)hydroxylamine
CID 163845285
2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
CID 118327794

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyiminopropyl)guanidine?
The IUPAC name of 2-(3-hydroxyiminopropyl)guanidine (CID 86698933) is 2-(3-hydroxyiminopropyl)guanidine.
What is the SMILES notation for 2-(3-hydroxyiminopropyl)guanidine?
The canonical SMILES for 2-(3-hydroxyiminopropyl)guanidine is NC(N)=NCCC=NO.
What is the InChIKey of 2-(3-hydroxyiminopropyl)guanidine?
The InChIKey is IKIIPNJDPCVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O/c5-4(6)7-2-1-3-8-9/h3,9H,1-2H2,(H4,5,6,7).
What are the key properties of 2-(3-hydroxyiminopropyl)guanidine?
2-(3-hydroxyiminopropyl)guanidine has a molecular weight of 130.15 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyiminopropyl)guanidine is sourced from PubChem (CID 86698933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).