tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate

C16H30N2O2 — CID 10684329

IUPACtert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCN1C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)17-12-14-10-7-11-18(14)13-8-5-4-6-9-13/h13-14H,4-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyYBYLIWWTHJLYPK-CQSZACIVSA-N
MW282.43 g/mol
LogP3.31
Rot. Bonds3

About tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate

tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate (PubChem CID 10684329) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
PubChem CID10684329
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCN1C1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)17-12-14-10-7-11-18(14)13-8-5-4-6-9-13/h13-14H,4-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyYBYLIWWTHJLYPK-CQSZACIVSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate (CID 10684329) is tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCCN1C1CCCCC1.
What is the InChIKey of tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate?
The InChIKey is YBYLIWWTHJLYPK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)17-12-14-10-7-11-18(14)13-8-5-4-6-9-13/h13-14H,4-12H2,1-3H3,(H,17,19)/t14-/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 10684329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).