N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine

C20H31NO — CID 57401005

IUPACN-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine
SMILESCCCCCCCCc1ccc(C2CCC(=NO)CC2)cc1
InChIInChI=1S/C20H31NO/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21-22)16-14-19/h9-12,19,22H,2-8,13-16H2,1H3/b21-20-
InChIKeyBYYCJSPROUBUIC-MRCUWXFGSA-N
MW301.47 g/mol
LogP6.08
Rot. Bonds8

About N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine

N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine (PubChem CID 57401005) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine
PubChem CID57401005
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine
SMILESCCCCCCCCc1ccc(C2CCC(=NO)CC2)cc1
InChIInChI=1S/C20H31NO/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21-22)16-14-19/h9-12,19,22H,2-8,13-16H2,1H3/b21-20-
InChIKeyBYYCJSPROUBUIC-MRCUWXFGSA-N
XLogP6.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-octylphenyl)cyclohexylidene]hydroxylamine?
The IUPAC name of N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine (CID 57401005) is N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine is CCCCCCCCc1ccc(C2CCC(=NO)CC2)cc1.
What is the InChIKey of N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine?
The InChIKey is BYYCJSPROUBUIC-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H31NO/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21-22)16-14-19/h9-12,19,22H,2-8,13-16H2,1H3/b21-20-.
What are the key properties of N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine?
N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine has a molecular weight of 301.47 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 57401005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).