2-amino-N'-hydroxycyclopentane-1-carboximidamide

C6H13N3O — CID 77052234

IUPAC2-amino-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1N
InChIInChI=1S/C6H13N3O/c7-5-3-1-2-4(5)6(8)9-10/h4-5,10H,1-3,7H2,(H2,8,9)
InChIKeyVSGLCFHCNSAYFZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.14
Rot. Bonds1

About 2-amino-N'-hydroxycyclopentane-1-carboximidamide

2-amino-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 77052234) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-amino-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID77052234
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-amino-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1N
InChIInChI=1S/C6H13N3O/c7-5-3-1-2-4(5)6(8)9-10/h4-5,10H,1-3,7H2,(H2,8,9)
InChIKeyVSGLCFHCNSAYFZ-UHFFFAOYSA-N
XLogP-0.14
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.14
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

trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
2-(2-aminocyclopentyl)prop-2-enamide
CID 134601795
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
CID 104985778
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
CID 77015707
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-amino-N'-hydroxycyclopentane-1-carboximidamide (CID 77052234) is 2-amino-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-amino-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-amino-N'-hydroxycyclopentane-1-carboximidamide is NC(=NO)C1CCCC1N.
What is the InChIKey of 2-amino-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is VSGLCFHCNSAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-5-3-1-2-4(5)6(8)9-10/h4-5,10H,1-3,7H2,(H2,8,9).
What are the key properties of 2-amino-N'-hydroxycyclopentane-1-carboximidamide?
2-amino-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 143.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 77052234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).