(NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine

C12H21NO — CID 59970263

IUPAC(NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine
SMILESCC1(C)C/C(=N\O)CC(C)(C2CC2)C1
InChIInChI=1S/C12H21NO/c1-11(2)6-10(13-14)7-12(3,8-11)9-4-5-9/h9,14H,4-8H2,1-3H3/b13-10+
InChIKeyHMDLXAPKGNHREL-JLHYYAGUSA-N
MW195.31 g/mol
LogP3.44
Rot. Bonds1

About (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine

(NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine (PubChem CID 59970263) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine
PubChem CID59970263
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine
SMILESCC1(C)C/C(=N\O)CC(C)(C2CC2)C1
InChIInChI=1S/C12H21NO/c1-11(2)6-10(13-14)7-12(3,8-11)9-4-5-9/h9,14H,4-8H2,1-3H3/b13-10+
InChIKeyHMDLXAPKGNHREL-JLHYYAGUSA-N
XLogP3.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.44
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-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine (CID 59970263) is (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine is CC1(C)C/C(=N\O)CC(C)(C2CC2)C1.
What is the InChIKey of (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine?
The InChIKey is HMDLXAPKGNHREL-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)6-10(13-14)7-12(3,8-11)9-4-5-9/h9,14H,4-8H2,1-3H3/b13-10+.
What are the key properties of (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine?
(NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine has a molecular weight of 195.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-cyclopropyl-3,5,5-trimethylcyclohexylidene)hydroxylamine is sourced from PubChem (CID 59970263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).