N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

C13H23N3O2 — CID 80590605

IUPACN-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C13H23N3O2/c14-11(16-18)13(8-9-13)12(17)15-10-6-4-2-1-3-5-7-10/h10,18H,1-9H2,(H2,14,16)(H,15,17)
InChIKeyFDHYIQIZFURXCM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds3

About N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (PubChem CID 80590605) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
PubChem CID80590605
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C13H23N3O2/c14-11(16-18)13(8-9-13)12(17)15-10-6-4-2-1-3-5-7-10/h10,18H,1-9H2,(H2,14,16)(H,15,17)
InChIKeyFDHYIQIZFURXCM-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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'}

Analyze N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590677
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80590346
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-4-yl)cycloheptane-1-carboxamide
CID 76919669
1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide
CID 104864785
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921140
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104861594
N-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)cycloheptane-1-carboxamide
CID 76920923
N-(1,1-dioxothiolan-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80591007
N-(1,1-dioxothian-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80594289
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (CID 80590605) is N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is NC(=NO)C1(C(=O)NC2CCCCCCC2)CC1.
What is the InChIKey of N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The InChIKey is FDHYIQIZFURXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-11(16-18)13(8-9-13)12(17)15-10-6-4-2-1-3-5-7-10/h10,18H,1-9H2,(H2,14,16)(H,15,17).
What are the key properties of N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80590605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).