N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

C14H25N3O2 — CID 77020487

IUPACN-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CCCC1)C1CCCC1
InChIInChI=1S/C14H25N3O2/c1-10(11-6-2-3-7-11)16-13(18)14(12(15)17-19)8-4-5-9-14/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNAUOJAYTNSYFHO-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.99
Rot. Bonds4

About N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (PubChem CID 77020487) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
PubChem CID77020487
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CCCC1)C1CCCC1
InChIInChI=1S/C14H25N3O2/c1-10(11-6-2-3-7-11)16-13(18)14(12(15)17-19)8-4-5-9-14/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNAUOJAYTNSYFHO-UHFFFAOYSA-N
XLogP1.99
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.99
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

N-(1-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920486
N-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 76919474
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824
N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80597089
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 106346880
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
N-hexan-3-yl-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76935982
1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104861594

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (CID 77020487) is N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is CC(NC(=O)C1(C(N)=NO)CCCC1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The InChIKey is NAUOJAYTNSYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(11-6-2-3-7-11)16-13(18)14(12(15)17-19)8-4-5-9-14/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 77020487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).