(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine

C12H23NO — CID 6029164

IUPAC(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine
SMILESC/C(CC(C)(C)C1CCCCC1)=N\O
InChIInChI=1S/C12H23NO/c1-10(13-14)9-12(2,3)11-7-5-4-6-8-11/h11,14H,4-9H2,1-3H3/b13-10+
InChIKeyBIMSDICOWVHGGB-JLHYYAGUSA-N
MW197.32 g/mol
LogP3.83
Rot. Bonds3

About (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine

(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine (PubChem CID 6029164) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine
PubChem CID6029164
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine
SMILESC/C(CC(C)(C)C1CCCCC1)=N\O
InChIInChI=1S/C12H23NO/c1-10(13-14)9-12(2,3)11-7-5-4-6-8-11/h11,14H,4-9H2,1-3H3/b13-10+
InChIKeyBIMSDICOWVHGGB-JLHYYAGUSA-N
XLogP3.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.83
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-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine (CID 6029164) is (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine is C/C(CC(C)(C)C1CCCCC1)=N\O.
What is the InChIKey of (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine?
The InChIKey is BIMSDICOWVHGGB-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(13-14)9-12(2,3)11-7-5-4-6-8-11/h11,14H,4-9H2,1-3H3/b13-10+.
What are the key properties of (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine?
(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine has a molecular weight of 197.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 6029164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).