(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine

C14H27NO — CID 129358234

IUPAC(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
SMILESCC(C)CC[C@@H]1CCCN1C[C@H]1CCOC1
InChIInChI=1S/C14H27NO/c1-12(2)5-6-14-4-3-8-15(14)10-13-7-9-16-11-13/h12-14H,3-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyDXEUIIVLIQCQGZ-KGLIPLIRSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds5

About (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine

(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine (PubChem CID 129358234) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
PubChem CID129358234
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine
SMILESCC(C)CC[C@@H]1CCCN1C[C@H]1CCOC1
InChIInChI=1S/C14H27NO/c1-12(2)5-6-14-4-3-8-15(14)10-13-7-9-16-11-13/h12-14H,3-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyDXEUIIVLIQCQGZ-KGLIPLIRSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.92
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
3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763200
[4-methyl-1-(oxolan-3-ylmethyl)piperidin-2-yl]methanamine
CID 103440342
1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
CID 91322429
1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 61313231
[4-ethyl-1-(oxolan-3-ylmethyl)piperidin-2-yl]methanamine
CID 103351575
2-(2-bromopropyl)-1-(oxan-4-ylmethyl)azepane
CID 112748024
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 111260389
2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 62386446

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine?
The IUPAC name of (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine (CID 129358234) is (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine?
The canonical SMILES for (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine is CC(C)CC[C@@H]1CCCN1C[C@H]1CCOC1.
What is the InChIKey of (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine?
The InChIKey is DXEUIIVLIQCQGZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)5-6-14-4-3-8-15(14)10-13-7-9-16-11-13/h12-14H,3-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine?
(2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylbutyl)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidine is sourced from PubChem (CID 129358234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).