(NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine

C13H25NO — CID 6236865

IUPAC(NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine
SMILESCC1CC(C(C)(C)C(C)C)CC/C1=N\O
InChIInChI=1S/C13H25NO/c1-9(2)13(4,5)11-6-7-12(14-15)10(3)8-11/h9-11,15H,6-8H2,1-5H3/b14-12+
InChIKeyVJZSRSSLXIIKRT-WYMLVPIESA-N
MW211.35 g/mol
LogP3.93
Rot. Bonds2

About (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine

(NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine (PubChem CID 6236865) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine
PubChem CID6236865
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine
SMILESCC1CC(C(C)(C)C(C)C)CC/C1=N\O
InChIInChI=1S/C13H25NO/c1-9(2)13(4,5)11-6-7-12(14-15)10(3)8-11/h9-11,15H,6-8H2,1-5H3/b14-12+
InChIKeyVJZSRSSLXIIKRT-WYMLVPIESA-N
XLogP3.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine (CID 6236865) is (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine is CC1CC(C(C)(C)C(C)C)CC/C1=N\O.
What is the InChIKey of (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine?
The InChIKey is VJZSRSSLXIIKRT-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)13(4,5)11-6-7-12(14-15)10(3)8-11/h9-11,15H,6-8H2,1-5H3/b14-12+.
What are the key properties of (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine?
(NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine has a molecular weight of 211.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 6236865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).