(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine

C17H24N2O — CID 59396244

IUPAC(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine
SMILESCN1CCc2ccc(/C=N\O)cc2C1C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-19-10-9-14-8-7-13(12-18-20)11-16(14)17(19)15-5-3-2-4-6-15/h7-8,11-12,15,17,20H,2-6,9-10H2,1H3/b18-12-
InChIKeyGCVVHMWTLGKULJ-PDGQHHTCSA-N
MW272.39 g/mol
LogP3.60
Rot. Bonds2

About (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine

(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine (PubChem CID 59396244) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine
PubChem CID59396244
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine
SMILESCN1CCc2ccc(/C=N\O)cc2C1C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-19-10-9-14-8-7-13(12-18-20)11-16(14)17(19)15-5-3-2-4-6-15/h7-8,11-12,15,17,20H,2-6,9-10H2,1H3/b18-12-
InChIKeyGCVVHMWTLGKULJ-PDGQHHTCSA-N
XLogP3.60
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.60
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-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine (CID 59396244) is (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine is CN1CCc2ccc(/C=N\O)cc2C1C1CCCCC1.
What is the InChIKey of (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine?
The InChIKey is GCVVHMWTLGKULJ-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-10-9-14-8-7-13(12-18-20)11-16(14)17(19)15-5-3-2-4-6-15/h7-8,11-12,15,17,20H,2-6,9-10H2,1H3/b18-12-.
What are the key properties of (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine?
(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine has a molecular weight of 272.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine is sourced from PubChem (CID 59396244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).