tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate

C15H29NO3 — CID 23395976

IUPACtert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CCC(CO)CC1
InChIInChI=1S/C15H29NO3/c1-14(2,3)19-13(18)16-15(4,5)12-8-6-11(10-17)7-9-12/h11-12,17H,6-10H2,1-5H3,(H,16,18)
InChIKeyIWNOCYMEEXTCFC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate

tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate (PubChem CID 23395976) 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]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate
PubChem CID23395976
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CCC(CO)CC1
InChIInChI=1S/C15H29NO3/c1-14(2,3)19-13(18)16-15(4,5)12-8-6-11(10-17)7-9-12/h11-12,17H,6-10H2,1-5H3,(H,16,18)
InChIKeyIWNOCYMEEXTCFC-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate (CID 23395976) is tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C1CCC(CO)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate?
The InChIKey is IWNOCYMEEXTCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-14(2,3)19-13(18)16-15(4,5)12-8-6-11(10-17)7-9-12/h11-12,17H,6-10H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate?
tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate is sourced from PubChem (CID 23395976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).