N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C16H22N2O — CID 77033889

IUPACN-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC1CCCC(N2CCC(=NO)c3ccccc32)C1
InChIInChI=1S/C16H22N2O/c1-12-5-4-6-13(11-12)18-10-9-15(17-19)14-7-2-3-8-16(14)18/h2-3,7-8,12-13,19H,4-6,9-11H2,1H3
InChIKeyGQDRWNNTGVZYLY-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.65
Rot. Bonds1

About N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033889) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033889
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC1CCCC(N2CCC(=NO)c3ccccc32)C1
InChIInChI=1S/C16H22N2O/c1-12-5-4-6-13(11-12)18-10-9-15(17-19)14-7-2-3-8-16(14)18/h2-3,7-8,12-13,19H,4-6,9-11H2,1H3
InChIKeyGQDRWNNTGVZYLY-UHFFFAOYSA-N
XLogP3.65
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.65
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-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033889) is N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is CC1CCCC(N2CCC(=NO)c3ccccc32)C1.
What is the InChIKey of N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is GQDRWNNTGVZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-4-6-13(11-12)18-10-9-15(17-19)14-7-2-3-8-16(14)18/h2-3,7-8,12-13,19H,4-6,9-11H2,1H3.
What are the key properties of N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 258.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylcyclohexyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).