1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine

C15H29NO — CID 155794361

IUPAC1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine
SMILESCC(C)(C)OC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)17-15(9-5-4-6-10-15)13-16-11-7-8-12-16/h4-13H2,1-3H3
InChIKeyXZHGYTKXYYHOEY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.60
Rot. Bonds3

About 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine

1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine (PubChem CID 155794361) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine
PubChem CID155794361
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine
SMILESCC(C)(C)OC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C15H29NO/c1-14(2,3)17-15(9-5-4-6-10-15)13-16-11-7-8-12-16/h4-13H2,1-3H3
InChIKeyXZHGYTKXYYHOEY-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]ethanamine
CID 115021831
O-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]hydroxylamine
CID 164878836
1-[(1-chlorocyclohexyl)methyl]pyrrolidine
CID 121219276
[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate
CID 90437699
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
CID 171611844
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
CID 115750820
1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 63632763
1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
CID 153309122
1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde
CID 115016765
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
1,1-dimethyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,4-thiazepane
CID 170368810

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine?
The IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine (CID 155794361) is 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine is CC(C)(C)OC1(CN2CCCC2)CCCCC1.
What is the InChIKey of 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine?
The InChIKey is XZHGYTKXYYHOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)17-15(9-5-4-6-10-15)13-16-11-7-8-12-16/h4-13H2,1-3H3.
What are the key properties of 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine?
1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine is sourced from PubChem (CID 155794361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).