N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide

C16H29N3O2 — CID 107182737

IUPACN-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1CCC(NC(=O)C2CCCC2(C)C)(C(N)=NO)CC1
InChIInChI=1S/C16H29N3O2/c1-11-6-9-16(10-7-11,14(17)19-21)18-13(20)12-5-4-8-15(12,2)3/h11-12,21H,4-10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyCAVVBQCLVMRCRS-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.62
Rot. Bonds3

About N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107182737) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107182737
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1CCC(NC(=O)C2CCCC2(C)C)(C(N)=NO)CC1
InChIInChI=1S/C16H29N3O2/c1-11-6-9-16(10-7-11,14(17)19-21)18-13(20)12-5-4-8-15(12,2)3/h11-12,21H,4-10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyCAVVBQCLVMRCRS-UHFFFAOYSA-N
XLogP2.62
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.62
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)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107182731
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
tert-butyl N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]carbamate
CID 76898062
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113501
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930043
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiane-2-carboxamide
CID 80596644
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-iodothiophene-3-carboxamide
CID 79684560
2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide
CID 107965125
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107182737) is N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1CCC(NC(=O)C2CCCC2(C)C)(C(N)=NO)CC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is CAVVBQCLVMRCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11-6-9-16(10-7-11,14(17)19-21)18-13(20)12-5-4-8-15(12,2)3/h11-12,21H,4-10H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.62, 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)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107182737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).