1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide

C13H23N3O2 — CID 104861594

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(C(N)=NO)CCCCC2)C1
InChIInChI=1S/C13H23N3O2/c1-9-7-10(8-9)15-12(17)13(11(14)16-18)5-3-2-4-6-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyZSKOOXZRFBDJTC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.60
Rot. Bonds3

About 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide (PubChem CID 104861594) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
PubChem CID104861594
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(C(N)=NO)CCCCC2)C1
InChIInChI=1S/C13H23N3O2/c1-9-7-10(8-9)15-12(17)13(11(14)16-18)5-3-2-4-6-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyZSKOOXZRFBDJTC-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.60
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-(1-methylpiperidin-4-yl)cycloheptane-1-carboxamide
CID 76919669
1-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 80597646
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921140
1-(N'-hydroxycarbamimidoyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclobutane-1-carboxamide
CID 80599735
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80590346
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)cycloheptane-1-carboxamide
CID 76920923
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590677
N-(2,3-dimethylcyclopentyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77050525
N-(2,2-dimethylcyclopropyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597343
1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide
CID 104864785
N-(1,1-dioxothian-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80594289

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide (CID 104861594) is 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide is CC1CC(NC(=O)C2(C(N)=NO)CCCCC2)C1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The InChIKey is ZSKOOXZRFBDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-7-10(8-9)15-12(17)13(11(14)16-18)5-3-2-4-6-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104861594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).