N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide

C15H27N3O2 — CID 107182731

IUPACN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C15H27N3O2/c1-14(2)8-4-3-7-11(14)12(19)17-15(13(16)18-20)9-5-6-10-15/h11,20H,3-10H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDYEHPENSYKEKGK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.38
Rot. Bonds3

About N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide

N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107182731) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107182731
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C15H27N3O2/c1-14(2)8-4-3-7-11(14)12(19)17-15(13(16)18-20)9-5-6-10-15/h11,20H,3-10H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDYEHPENSYKEKGK-UHFFFAOYSA-N
XLogP2.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.38
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-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182737
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiane-2-carboxamide
CID 80596644
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiolane-2-carboxamide
CID 77021518
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182742
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide
CID 76982149
N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180286
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 107423005
1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
CID 79161293

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 107182731) is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is DYEHPENSYKEKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-14(2)8-4-3-7-11(14)12(19)17-15(13(16)18-20)9-5-6-10-15/h11,20H,3-10H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107182731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).