1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide

C15H27N3O2 — CID 76919438

IUPAC1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCCCCC2)CCCCC1
InChIInChI=1S/C15H27N3O2/c16-13(17-20)15(9-5-4-6-10-15)14(19)18-11-7-2-1-3-8-12-18/h20H,1-12H2,(H2,16,17)
InChIKeySDUHHNFNIMSEIF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.48
Rot. Bonds2

About 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide

1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide (PubChem CID 76919438) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
PubChem CID76919438
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCCCCC2)CCCCC1
InChIInChI=1S/C15H27N3O2/c16-13(17-20)15(9-5-4-6-10-15)14(19)18-11-7-2-1-3-8-12-18/h20H,1-12H2,(H2,16,17)
InChIKeySDUHHNFNIMSEIF-UHFFFAOYSA-N
XLogP2.48
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
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'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
CID 80597473
1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921074
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068

Frequently Asked Questions

What is the IUPAC name of 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide (CID 76919438) is 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCCCCCC2)CCCCC1.
What is the InChIKey of 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The InChIKey is SDUHHNFNIMSEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-13(17-20)15(9-5-4-6-10-15)14(19)18-11-7-2-1-3-8-12-18/h20H,1-12H2,(H2,16,17).
What are the key properties of 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 76919438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).