(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine

C11H21NO — CID 134834212

IUPAC(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine
SMILESC[C@@H]1C(C)(C)CC/C(=N\O)C1(C)C
InChIInChI=1S/C11H21NO/c1-8-10(2,3)7-6-9(12-13)11(8,4)5/h8,13H,6-7H2,1-5H3/b12-9+/t8-/m1/s1
InChIKeyCJUUNEPJMAPUTN-WLDSJTMESA-N
MW183.29 g/mol
LogP3.30
Rot. Bonds

About (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine

(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine (PubChem CID 134834212) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine
PubChem CID134834212
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine
SMILESC[C@@H]1C(C)(C)CC/C(=N\O)C1(C)C
InChIInChI=1S/C11H21NO/c1-8-10(2,3)7-6-9(12-13)11(8,4)5/h8,13H,6-7H2,1-5H3/b12-9+/t8-/m1/s1
InChIKeyCJUUNEPJMAPUTN-WLDSJTMESA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.30
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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Related Compounds

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, oxime
CID 5789691
3-Pinanone oxime
CID 9605260
N-[5-methyl-2-(propan-2-yl)cyclohexylidene]hydroxylamine
CID 316352
N-(2,2,6,6-Tetramethylcyclohexylidene)hydroxylamine
CID 348405
(E)-2,2-Dimethylcyclohexanone oxime
CID 9562412
N-[(2Z)-5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine
CID 5465597
4-(Tert-butyl)cyclohexanone oxime
CID 223594
4-tert-butyl-N-methoxycyclohexan-1-imine
CID 280716
2,6-Dimethylcyclohexanone oxime
CID 3729583
(NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 16758031
(NE)-N-(4-cyclohexyl-4-methylpentan-2-ylidene)hydroxylamine
CID 6029164
(NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 6857768

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine (CID 134834212) is (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine is C[C@@H]1C(C)(C)CC/C(=N\O)C1(C)C.
What is the InChIKey of (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine?
The InChIKey is CJUUNEPJMAPUTN-WLDSJTMESA-N. The full InChI is InChI=1S/C11H21NO/c1-8-10(2,3)7-6-9(12-13)11(8,4)5/h8,13H,6-7H2,1-5H3/b12-9+/t8-/m1/s1.
What are the key properties of (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine?
(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine has a molecular weight of 183.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 134834212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).