(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine

C18H28N2O — CID 166083350

IUPAC(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine
SMILESCC(C)CCN(Cc1ccccc1)C1CCC/C(=N/O)C1
InChIInChI=1S/C18H28N2O/c1-15(2)11-12-20(14-16-7-4-3-5-8-16)18-10-6-9-17(13-18)19-21/h3-5,7-8,15,18,21H,6,9-14H2,1-2H3/b19-17-
InChIKeyMGPXPVWBFBHACX-ZPHPHTNESA-N
MW288.44 g/mol
LogP4.31
Rot. Bonds6

About (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine

(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine (PubChem CID 166083350) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine
PubChem CID166083350
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine
SMILESCC(C)CCN(Cc1ccccc1)C1CCC/C(=N/O)C1
InChIInChI=1S/C18H28N2O/c1-15(2)11-12-20(14-16-7-4-3-5-8-16)18-10-6-9-17(13-18)19-21/h3-5,7-8,15,18,21H,6,9-14H2,1-2H3/b19-17-
InChIKeyMGPXPVWBFBHACX-ZPHPHTNESA-N
XLogP4.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.31
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-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine (CID 166083350) is (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine is CC(C)CCN(Cc1ccccc1)C1CCC/C(=N/O)C1.
What is the InChIKey of (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine?
The InChIKey is MGPXPVWBFBHACX-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2)11-12-20(14-16-7-4-3-5-8-16)18-10-6-9-17(13-18)19-21/h3-5,7-8,15,18,21H,6,9-14H2,1-2H3/b19-17-.
What are the key properties of (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine?
(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine has a molecular weight of 288.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine is sourced from PubChem (CID 166083350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).