tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate

C17H32N2O3 — CID 165498320

IUPACtert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1N1CCCC1(C)C
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(21)18-13-8-7-12(20)11-14(13)19-10-6-9-17(19,4)5/h12-14,20H,6-11H2,1-5H3,(H,18,21)
InChIKeyXXWLRQHVCGGNQY-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.67
Rot. Bonds2

About tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate

tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate (PubChem CID 165498320) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
PubChem CID165498320
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1N1CCCC1(C)C
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(21)18-13-8-7-12(20)11-14(13)19-10-6-9-17(19,4)5/h12-14,20H,6-11H2,1-5H3,(H,18,21)
InChIKeyXXWLRQHVCGGNQY-UHFFFAOYSA-N
XLogP2.67
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
CID 165498547
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate
CID 165491268
tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)-4-hydroxycyclohexyl]carbamate
CID 165498541
tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate
CID 165498413
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl-[(1R,2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 67056480

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate (CID 165498320) is tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(O)CC1N1CCCC1(C)C.
What is the InChIKey of tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate?
The InChIKey is XXWLRQHVCGGNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)22-15(21)18-13-8-7-12(20)11-14(13)19-10-6-9-17(19,4)5/h12-14,20H,6-11H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate?
tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 165498320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).