1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine

C13H25NO — CID 91322429

IUPAC1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(2)13-4-3-7-14(13)10-12-5-8-15-9-6-12/h11-13H,3-10H2,1-2H3
InChIKeyWLHIEQCRVPGRPV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine

1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine (PubChem CID 91322429) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
PubChem CID91322429
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(2)13-4-3-7-14(13)10-12-5-8-15-9-6-12/h11-13H,3-10H2,1-2H3
InChIKeyWLHIEQCRVPGRPV-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758742
(2R)-2-(difluoromethyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
CID 129348729
2-(oxan-4-ylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926700
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917
2-(2-bromopropyl)-1-(oxan-4-ylmethyl)azepane
CID 112748024
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
2-(difluoromethyl)-4-methyl-1-(oxan-4-ylmethyl)piperazine tritetrafluoroborate
CID 174172876
(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
CID 129358234
1-[1-(oxan-4-ylmethyl)piperidin-2-yl]ethanone
CID 63845675
3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763200

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine (CID 91322429) is 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine is CC(C)C1CCCN1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine?
The InChIKey is WLHIEQCRVPGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)13-4-3-7-14(13)10-12-5-8-15-9-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine?
1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 91322429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).