3-(cyclopropylamino)-N'-hydroxypentanimidamide

C8H17N3O — CID 77026260

IUPAC3-(cyclopropylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CC1
InChIInChI=1S/C8H17N3O/c1-2-6(5-8(9)11-12)10-7-3-4-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyHQUOQFQMQWLMPL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds5

About 3-(cyclopropylamino)-N'-hydroxypentanimidamide

3-(cyclopropylamino)-N'-hydroxypentanimidamide (PubChem CID 77026260) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N'-hydroxypentanimidamide
PubChem CID77026260
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(cyclopropylamino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CC1
InChIInChI=1S/C8H17N3O/c1-2-6(5-8(9)11-12)10-7-3-4-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyHQUOQFQMQWLMPL-UHFFFAOYSA-N
XLogP0.65
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide
CID 77050586
3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide
CID 79879009
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
CID 80720866
3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide
CID 77109780
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77031419
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
3-(cyclopropylamino)pentan-1-ol
CID 83815190
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(cyclopropylamino)-N'-hydroxypentanimidamide (CID 77026260) is 3-(cyclopropylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(cyclopropylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(cyclopropylamino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N'-hydroxypentanimidamide?
The InChIKey is HQUOQFQMQWLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-6(5-8(9)11-12)10-7-3-4-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11).
What are the key properties of 3-(cyclopropylamino)-N'-hydroxypentanimidamide?
3-(cyclopropylamino)-N'-hydroxypentanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77026260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).