(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine

C13H23NO — CID 138580980

IUPAC(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine
SMILESC=C(C)C(C)(C)/C(=N/O)C1CCCCC1
InChIInChI=1S/C13H23NO/c1-10(2)13(3,4)12(14-15)11-8-6-5-7-9-11/h11,15H,1,5-9H2,2-4H3/b14-12+
InChIKeyGLKXBPFVICKPFW-WYMLVPIESA-N
MW209.33 g/mol
LogP4.00
Rot. Bonds3

About (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine

(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine (PubChem CID 138580980) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine
PubChem CID138580980
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine
SMILESC=C(C)C(C)(C)/C(=N/O)C1CCCCC1
InChIInChI=1S/C13H23NO/c1-10(2)13(3,4)12(14-15)11-8-6-5-7-9-11/h11,15H,1,5-9H2,2-4H3/b14-12+
InChIKeyGLKXBPFVICKPFW-WYMLVPIESA-N
XLogP4.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexyl-3,3,4-trimethylpent-4-en-2-ylidene)hydroxylamine
CID 155617647
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
(NZ)-N-(1-cyclohexyl-3,3-dimethylbutylidene)hydroxylamine
CID 59350977
(E)-3-cyclopentylbut-2-en-2-amine
CID 174028548
3-cycloheptylbut-3-en-2-one
CID 89298761
N-tert-butyl-1,1-dicyclohexylmethanimine
CID 59775247
1-cyclohexylethanethione
CID 13294348
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
N-(1-cyclohexylethenyl)methanimine
CID 123927347
N-hydroxycyclohexanecarboximidoyl chloride
CID 71364241
N-amino-N'-tert-butylcycloheptanecarboximidamide
CID 62590760
(2-cyclohexyl-3-methylpent-1-en-3-yl)silane
CID 173389713

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine (CID 138580980) is (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine is C=C(C)C(C)(C)/C(=N/O)C1CCCCC1.
What is the InChIKey of (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine?
The InChIKey is GLKXBPFVICKPFW-WYMLVPIESA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)13(3,4)12(14-15)11-8-6-5-7-9-11/h11,15H,1,5-9H2,2-4H3/b14-12+.
What are the key properties of (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine?
(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine has a molecular weight of 209.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine is sourced from PubChem (CID 138580980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).