3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C13H25N3O — CID 76928062

IUPAC3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CCCC1C1CCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-10(13(14)15-17)9-16-8-4-7-12(16)11-5-2-3-6-11/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyUATDNZDKKZSISJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.02
Rot. Bonds4

About 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76928062) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID76928062
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN1CCCC1C1CCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-10(13(14)15-17)9-16-8-4-7-12(16)11-5-2-3-6-11/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyUATDNZDKKZSISJ-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76917377
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylpropanoate
CID 65320590
1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 176943757
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N,2-dimethylpropan-1-amine
CID 62432600
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpentan-2-amine
CID 102726819
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropanehydrazide
CID 82752286
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43584570
3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76927561
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64826732
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 76928062) is 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CC(CN1CCCC1C1CCCC1)C(N)=NO.
What is the InChIKey of 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is UATDNZDKKZSISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(13(14)15-17)9-16-8-4-7-12(16)11-5-2-3-6-11/h10-12,17H,2-9H2,1H3,(H2,14,15).
What are the key properties of 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76928062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).