1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol

C14H27NO2 — CID 116525659

IUPAC1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C14H27NO2/c1-11(16)9-12-5-4-8-15(12)10-13-6-7-14(2,3)17-13/h11-13,16H,4-10H2,1-3H3
InChIKeyFCHICPPXVZZCPJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 116525659) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID116525659
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CC1CCC(C)(C)O1
InChIInChI=1S/C14H27NO2/c1-11(16)9-12-5-4-8-15(12)10-13-6-7-14(2,3)17-13/h11-13,16H,4-10H2,1-3H3
InChIKeyFCHICPPXVZZCPJ-UHFFFAOYSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 116522147
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 116522148
1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758742
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
CID 116525280
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
CID 116522763
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 116525659) is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1CC1CCC(C)(C)O1.
What is the InChIKey of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is FCHICPPXVZZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(16)9-12-5-4-8-15(12)10-13-6-7-14(2,3)17-13/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 116525659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).