N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

C14H25N3O2 — CID 77050525

IUPACN-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(C(N)=NO)CCCC2)C1C
InChIInChI=1S/C14H25N3O2/c1-9-5-6-11(10(9)2)16-13(18)14(12(15)17-19)7-3-4-8-14/h9-11,19H,3-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyABDFGMOTRVDFJF-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.84
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (PubChem CID 77050525) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
PubChem CID77050525
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(C(N)=NO)CCCC2)C1C
InChIInChI=1S/C14H25N3O2/c1-9-5-6-11(10(9)2)16-13(18)14(12(15)17-19)7-3-4-8-14/h9-11,19H,3-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyABDFGMOTRVDFJF-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.84
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

1-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 80597646
1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
CID 64910427
1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104861594
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-4-yl)cycloheptane-1-carboxamide
CID 76919669
1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
CID 80715583
N-(2,2-dimethylcyclopropyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597343
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590677
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921140
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
N-(1-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920486
N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77020487
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)cycloheptane-1-carboxamide
CID 76920923

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (CID 77050525) is N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is CC1CCC(NC(=O)C2(C(N)=NO)CCCC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The InChIKey is ABDFGMOTRVDFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9-5-6-11(10(9)2)16-13(18)14(12(15)17-19)7-3-4-8-14/h9-11,19H,3-8H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 77050525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).