N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine

C14H19NO — CID 71344449

IUPACN-(2-benzyl-2-methylcyclohexylidene)hydroxylamine
SMILESCC1(Cc2ccccc2)CCCCC1=NO
InChIInChI=1S/C14H19NO/c1-14(10-6-5-9-13(14)15-16)11-12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-11H2,1H3
InChIKeyJVZKPZMIXJMVMY-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.64
Rot. Bonds2

About N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine

N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine (PubChem CID 71344449) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-benzyl-2-methylcyclohexylidene)hydroxylamine
PubChem CID71344449
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2-benzyl-2-methylcyclohexylidene)hydroxylamine
SMILESCC1(Cc2ccccc2)CCCCC1=NO
InChIInChI=1S/C14H19NO/c1-14(10-6-5-9-13(14)15-16)11-12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-11H2,1H3
InChIKeyJVZKPZMIXJMVMY-UHFFFAOYSA-N
XLogP3.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea
CID 92526860
(NZ)-N-(2,2-diphenylcyclohexylidene)hydroxylamine
CID 102069739
(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine
CID 138976612
(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine
CID 6152169
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
1-benzyl-2,2-dimethylcyclohexan-1-amine
CID 79836797
(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene
CID 138964298
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
(2S)-2-methyl-2-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 102124068
2-benzyl-2-methoxycyclohexan-1-one
CID 11806160
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine?
The IUPAC name of N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine (CID 71344449) is N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine.
What is the SMILES notation for N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine?
The canonical SMILES for N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine is CC1(Cc2ccccc2)CCCCC1=NO.
What is the InChIKey of N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine?
The InChIKey is JVZKPZMIXJMVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(10-6-5-9-13(14)15-16)11-12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-11H2,1H3.
What are the key properties of N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine?
N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine has a molecular weight of 217.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine is sourced from PubChem (CID 71344449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).