tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate

C15H29NO3 — CID 23395983

IUPACtert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate
SMILESCN(CCC1CCC(CO)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-15(2,3)19-14(18)16(4)10-9-12-5-7-13(11-17)8-6-12/h12-13,17H,5-11H2,1-4H3
InChIKeyODZXPJPKMVQLAU-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.04
Rot. Bonds4

About tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate (PubChem CID 23395983) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate
PubChem CID23395983
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate
SMILESCN(CCC1CCC(CO)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-15(2,3)19-14(18)16(4)10-9-12-5-7-13(11-17)8-6-12/h12-13,17H,5-11H2,1-4H3
InChIKeyODZXPJPKMVQLAU-UHFFFAOYSA-N
XLogP3.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate (CID 23395983) is tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate is CN(CCC1CCC(CO)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate?
The InChIKey is ODZXPJPKMVQLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-15(2,3)19-14(18)16(4)10-9-12-5-7-13(11-17)8-6-12/h12-13,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate has a molecular weight of 271.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 23395983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).