(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine

C16H23FN2O — CID 87368985

IUPAC(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine
SMILESCN(C)C(c1ccc(F)cc1)C1CCC(/C=N\O)CC1
InChIInChI=1S/C16H23FN2O/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(4-6-13)11-18-20/h7-13,16,20H,3-6H2,1-2H3/b18-11-
InChIKeyMOEMVUVYKIUSOM-WQRHYEAKSA-N
MW278.37 g/mol
LogP3.69
Rot. Bonds4

About (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine

(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine (PubChem CID 87368985) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine
PubChem CID87368985
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine
SMILESCN(C)C(c1ccc(F)cc1)C1CCC(/C=N\O)CC1
InChIInChI=1S/C16H23FN2O/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(4-6-13)11-18-20/h7-13,16,20H,3-6H2,1-2H3/b18-11-
InChIKeyMOEMVUVYKIUSOM-WQRHYEAKSA-N
XLogP3.69
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.69
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 (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine (CID 87368985) is (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine is CN(C)C(c1ccc(F)cc1)C1CCC(/C=N\O)CC1.
What is the InChIKey of (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine?
The InChIKey is MOEMVUVYKIUSOM-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(4-6-13)11-18-20/h7-13,16,20H,3-6H2,1-2H3/b18-11-.
What are the key properties of (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine?
(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine has a molecular weight of 278.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine is sourced from PubChem (CID 87368985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).