N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine

C17H25NO2 — CID 77054350

IUPACN-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H25NO2/c1-4-17(18-19)14-6-9-15(10-7-14)20-16-8-5-12(2)13(3)11-16/h6-7,9-10,12-13,16,19H,4-5,8,11H2,1-3H3
InChIKeyXTCAIYJZANUQEY-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.48
Rot. Bonds4

About N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine

N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine (PubChem CID 77054350) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine
PubChem CID77054350
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine
SMILESCCC(=NO)c1ccc(OC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H25NO2/c1-4-17(18-19)14-6-9-15(10-7-14)20-16-8-5-12(2)13(3)11-16/h6-7,9-10,12-13,16,19H,4-5,8,11H2,1-3H3
InChIKeyXTCAIYJZANUQEY-UHFFFAOYSA-N
XLogP4.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.48
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-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine?
The IUPAC name of N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine (CID 77054350) is N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine is CCC(=NO)c1ccc(OC2CCC(C)C(C)C2)cc1.
What is the InChIKey of N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine?
The InChIKey is XTCAIYJZANUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-17(18-19)14-6-9-15(10-7-14)20-16-8-5-12(2)13(3)11-16/h6-7,9-10,12-13,16,19H,4-5,8,11H2,1-3H3.
What are the key properties of N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine?
N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine has a molecular weight of 275.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine is sourced from PubChem (CID 77054350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).