(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine

C15H22N2O2 — CID 136848910

IUPAC(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine
SMILESCCCCC(=N/O)/C(=N\O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-14(16-18)15(17-19)13-9-7-12(8-10-13)11(2)3/h7-11,18-19H,4-6H2,1-3H3/b16-14-,17-15-
InChIKeyJZXDCXSNOCMGEZ-RYOQUFEFSA-N
MW262.35 g/mol
LogP4.01
Rot. Bonds6

About (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine

(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine (PubChem CID 136848910) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine
PubChem CID136848910
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine
SMILESCCCCC(=N/O)/C(=N\O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-14(16-18)15(17-19)13-9-7-12(8-10-13)11(2)3/h7-11,18-19H,4-6H2,1-3H3/b16-14-,17-15-
InChIKeyJZXDCXSNOCMGEZ-RYOQUFEFSA-N
XLogP4.01
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine (CID 136848910) is (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine is CCCCC(=N/O)/C(=N\O)c1ccc(C(C)C)cc1.
What is the InChIKey of (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine?
The InChIKey is JZXDCXSNOCMGEZ-RYOQUFEFSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-5-6-14(16-18)15(17-19)13-9-7-12(8-10-13)11(2)3/h7-11,18-19H,4-6H2,1-3H3/b16-14-,17-15-.
What are the key properties of (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine?
(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine has a molecular weight of 262.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine is sourced from PubChem (CID 136848910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).