tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate

C17H33NO3 — CID 106508190

IUPACtert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate
SMILESCC(C)CCC(CO)(CNC(=O)OC(C)(C)C)CC1CC1
InChIInChI=1S/C17H33NO3/c1-13(2)8-9-17(12-19,10-14-6-7-14)11-18-15(20)21-16(3,4)5/h13-14,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyWDYJVGGSVCDBIA-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.73
Rot. Bonds8

About tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate

tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate (PubChem CID 106508190) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate
PubChem CID106508190
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nametert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate
SMILESCC(C)CCC(CO)(CNC(=O)OC(C)(C)C)CC1CC1
InChIInChI=1S/C17H33NO3/c1-13(2)8-9-17(12-19,10-14-6-7-14)11-18-15(20)21-16(3,4)5/h13-14,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyWDYJVGGSVCDBIA-UHFFFAOYSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylsulfanylpentyl]carbamate
CID 106508227
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[2-(hydroxymethyl)-2-[(5-methyloxolan-2-yl)methyl]pentyl]carbamate
CID 106507460
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 106508210
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-3-(4-methyl-1,3-thiazol-2-yl)propyl]carbamate
CID 106508229
tert-butyl N-[2-(hydroxymethyl)-5-methoxy-5-methyl-2-(2-methylpropyl)hexyl]carbamate
CID 106507987
tert-butyl N-[2-cyclopropyl-2-(hydroxymethyl)-4-(3-methylbutoxy)butyl]carbamate
CID 106506709
tert-butyl N-[2-(hydroxymethyl)-2-(2-methylpropyl)heptyl]carbamate
CID 106507949
2-(cyclopropylmethyl)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106490255
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate (CID 106508190) is tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate is CC(C)CCC(CO)(CNC(=O)OC(C)(C)C)CC1CC1.
What is the InChIKey of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate?
The InChIKey is WDYJVGGSVCDBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-13(2)8-9-17(12-19,10-14-6-7-14)11-18-15(20)21-16(3,4)5/h13-14,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate?
tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate has a molecular weight of 299.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopropylmethyl)-2-(hydroxymethyl)-5-methylhexyl]carbamate is sourced from PubChem (CID 106508190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).