2-(cyclohexylcarbamoyl)hexane-1-diazonium

C13H24N3O+ — CID 174456340

IUPAC2-(cyclohexylcarbamoyl)hexane-1-diazonium
SMILESCCCCC(C[N+]#N)C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-3-7-11(10-15-14)13(17)16-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3/p+1
InChIKeyBBGZISLAPMGHJV-UHFFFAOYSA-O
MW238.35 g/mol
LogP3.09
Rot. Bonds6

About 2-(cyclohexylcarbamoyl)hexane-1-diazonium

2-(cyclohexylcarbamoyl)hexane-1-diazonium (PubChem CID 174456340) has the molecular formula C13H24N3O+ and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoyl)hexane-1-diazonium.

Molecular Properties

Compound Name2-(cyclohexylcarbamoyl)hexane-1-diazonium
PubChem CID174456340
Molecular FormulaC13H24N3O+
Molecular Weight238.35 g/mol
Exact Mass238.19
IUPAC Name2-(cyclohexylcarbamoyl)hexane-1-diazonium
SMILESCCCCC(C[N+]#N)C(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-3-7-11(10-15-14)13(17)16-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3/p+1
InChIKeyBBGZISLAPMGHJV-UHFFFAOYSA-O
XLogP3.09
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-2-ethylhexanamide
CID 3989939
N-cyclopentyl-2-ethylhexanamide
CID 4146053
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
5-amino-N-cycloheptyl-2-ethylpentanamide
CID 112515741
5-amino-N-cyclopentyl-2-ethylpentanamide
CID 112515263
1-cyclopentyl-3-octan-4-ylurea
CID 103729065
N-cycloheptyl-2-methylpentanamide
CID 4532030
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
N-cyclooctyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide
CID 165053172
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
methyl 2-[(cyclopentylamino)methyl]hexanoate
CID 174575795

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoyl)hexane-1-diazonium?
The IUPAC name of 2-(cyclohexylcarbamoyl)hexane-1-diazonium (CID 174456340) is 2-(cyclohexylcarbamoyl)hexane-1-diazonium.
What is the SMILES notation for 2-(cyclohexylcarbamoyl)hexane-1-diazonium?
The canonical SMILES for 2-(cyclohexylcarbamoyl)hexane-1-diazonium is CCCCC(C[N+]#N)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoyl)hexane-1-diazonium?
The InChIKey is BBGZISLAPMGHJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N3O/c1-2-3-7-11(10-15-14)13(17)16-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3/p+1.
What are the key properties of 2-(cyclohexylcarbamoyl)hexane-1-diazonium?
2-(cyclohexylcarbamoyl)hexane-1-diazonium has a molecular weight of 238.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoyl)hexane-1-diazonium is sourced from PubChem (CID 174456340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).