[4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate

C13H25NO3 — CID 165388275

IUPAC[4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC1CCC(CO)CC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)14(4)12(16)17-11-7-5-10(9-15)6-8-11/h10-11,15H,5-9H2,1-4H3
InChIKeyMKZYAQPFLNYBIX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.40
Rot. Bonds2

About [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate

[4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate (PubChem CID 165388275) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate
PubChem CID165388275
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC1CCC(CO)CC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)14(4)12(16)17-11-7-5-10(9-15)6-8-11/h10-11,15H,5-9H2,1-4H3
InChIKeyMKZYAQPFLNYBIX-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl N,N-dimethylcarbamate
CID 91507793
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 106825531
cyclopropyl 3-cyclopropylpropanoate
CID 175261469
[4-(hydroxymethyl)cyclohexyl]methyl 2,2-dimethylpropanoate
CID 15349892
ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol
CID 71186530
cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate
CID 175087210
3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide
CID 110025782
2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200322
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680
ethyl N-(cyclopropylmethyl)-N-methylcarbamate
CID 56630392
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate?
The IUPAC name of [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate (CID 165388275) is [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate.
What is the SMILES notation for [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate?
The canonical SMILES for [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate is CN(C(=O)OC1CCC(CO)CC1)C(C)(C)C.
What is the InChIKey of [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate?
The InChIKey is MKZYAQPFLNYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)14(4)12(16)17-11-7-5-10(9-15)6-8-11/h10-11,15H,5-9H2,1-4H3.
What are the key properties of [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate?
[4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate has a molecular weight of 243.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate is sourced from PubChem (CID 165388275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).