N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine

C14H19NO2 — CID 113414232

IUPACN-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
SMILESCc1cccc(COC2CCC(=NO)CC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)10-17-14-7-5-13(15-16)6-8-14/h2-4,9,14,16H,5-8,10H2,1H3/b15-13-
InChIKeyIWGJGKQSFBUCCO-SQFISAMPSA-N
MW233.31 g/mol
LogP3.28
Rot. Bonds3

About N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine

N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine (PubChem CID 113414232) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
PubChem CID113414232
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
SMILESCc1cccc(COC2CCC(=NO)CC2)c1
InChIInChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)10-17-14-7-5-13(15-16)6-8-14/h2-4,9,14,16H,5-8,10H2,1H3/b15-13-
InChIKeyIWGJGKQSFBUCCO-SQFISAMPSA-N
XLogP3.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
The IUPAC name of N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine (CID 113414232) is N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine is Cc1cccc(COC2CCC(=NO)CC2)c1.
What is the InChIKey of N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
The InChIKey is IWGJGKQSFBUCCO-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-3-2-4-12(9-11)10-17-14-7-5-13(15-16)6-8-14/h2-4,9,14,16H,5-8,10H2,1H3/b15-13-.
What are the key properties of N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine?
N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine has a molecular weight of 233.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine is sourced from PubChem (CID 113414232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).