N-methyl-N-phenyldiazenylcyclohexanamine

C13H19N3 — CID 134985462

IUPACN-methyl-N-phenyldiazenylcyclohexanamine
SMILESCN(/N=N/c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H19N3/c1-16(13-10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3/b15-14+
InChIKeyVSBZVTGHHOWDTG-CCEZHUSRSA-N
MW217.32 g/mol
LogP3.95
Rot. Bonds3

About N-methyl-N-phenyldiazenylcyclohexanamine

N-methyl-N-phenyldiazenylcyclohexanamine (PubChem CID 134985462) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-methyl-N-phenyldiazenylcyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-phenyldiazenylcyclohexanamine
PubChem CID134985462
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-methyl-N-phenyldiazenylcyclohexanamine
SMILESCN(/N=N/c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H19N3/c1-16(13-10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3/b15-14+
InChIKeyVSBZVTGHHOWDTG-CCEZHUSRSA-N
XLogP3.95
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-1-methyl-2-phenylguanidine
CID 62364038
N-cyclohexyl-4-methyl-N-phenylaniline
CID 58662978
benzene;N,N-dimethylcyclohexanamine
CID 142054055
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
N,N-dibenzhydrylcyclohexanamine
CID 139723956
N-cyclohexyl-N-fluoroaniline
CID 139617902
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
CID 78962138
N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
CID 59728996
N-cyclohexyl-N-[(N-cyclohexylanilino)silylmethylsilyl]aniline
CID 123940433
N,N-dicyclohexyl-1-phenylcyclopropane-1-carboxamide
CID 3231412

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyldiazenylcyclohexanamine?
The IUPAC name of N-methyl-N-phenyldiazenylcyclohexanamine (CID 134985462) is N-methyl-N-phenyldiazenylcyclohexanamine.
What is the SMILES notation for N-methyl-N-phenyldiazenylcyclohexanamine?
The canonical SMILES for N-methyl-N-phenyldiazenylcyclohexanamine is CN(/N=N/c1ccccc1)C1CCCCC1.
What is the InChIKey of N-methyl-N-phenyldiazenylcyclohexanamine?
The InChIKey is VSBZVTGHHOWDTG-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H19N3/c1-16(13-10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3/b15-14+.
What are the key properties of N-methyl-N-phenyldiazenylcyclohexanamine?
N-methyl-N-phenyldiazenylcyclohexanamine has a molecular weight of 217.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyldiazenylcyclohexanamine is sourced from PubChem (CID 134985462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).