(5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate

C13H23NO2 — CID 57110240

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate
SMILESCC=NC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H23NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,6-8H2,1-4H3
InChIKeyNNEZXZCQQWGTFY-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.67
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate (PubChem CID 57110240) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate
PubChem CID57110240
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate
SMILESCC=NC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C13H23NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,6-8H2,1-4H3
InChIKeyNNEZXZCQQWGTFY-UHFFFAOYSA-N
XLogP3.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-3-propan-2-ylcyclohexyl) N-ethylidenecarbamate
CID 90993012
(5-methyl-2-propan-2-ylcyclohexyl) 2H-azirin-1-ium-1-carboxylate
CID 91107180
3-cyclohexylpropyl N-ethylidenecarbamate
CID 123441124
5-cyclohexylpentyl N-ethylidenecarbamate
CID 123633150
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate
CID 143270001
tert-butyl (NE)-N-[[(4R)-3-hydroxy-4-methylcyclohexyl]methylidene]carbamate
CID 144897289
tert-butyl N-[[(1S,3R,4R)-3-hydroxy-4-methylcyclohexyl]methylidene]carbamate
CID 173727504
tert-butyl N-[[(4R)-3-hydroxy-4-methylcyclohexyl]methylidene]carbamate
CID 173866213
tert-butyl N-[[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]methylidene]carbamate
CID 173996216

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate (CID 57110240) is (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate is CC=NC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate?
The InChIKey is NNEZXZCQQWGTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-14-13(15)16-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,6-8H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate has a molecular weight of 225.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-ethylidenecarbamate is sourced from PubChem (CID 57110240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).