tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate

C14H27NO4 — CID 176824150

IUPACtert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(CO)CO)CC1
InChIInChI=1S/C14H27NO4/c1-14(2,3)19-13(18)15-12-6-4-10(5-7-12)11(8-16)9-17/h10-12,16-17H,4-9H2,1-3H3,(H,15,18)
InChIKeyWGYHJKPAIPHMTG-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate

tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate (PubChem CID 176824150) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
PubChem CID176824150
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(CO)CO)CC1
InChIInChI=1S/C14H27NO4/c1-14(2,3)19-13(18)15-12-6-4-10(5-7-12)11(8-16)9-17/h10-12,16-17H,4-9H2,1-3H3,(H,15,18)
InChIKeyWGYHJKPAIPHMTG-UHFFFAOYSA-N
XLogP1.67
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
ethyl (3S)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoate
CID 169159887
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclohexyl]carbamate
CID 106171656
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate (CID 176824150) is tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(CO)CO)CC1.
What is the InChIKey of tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate?
The InChIKey is WGYHJKPAIPHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-14(2,3)19-13(18)15-12-6-4-10(5-7-12)11(8-16)9-17/h10-12,16-17H,4-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate?
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate has a molecular weight of 273.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate is sourced from PubChem (CID 176824150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).