3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine

C11H23NO — CID 167534931

IUPAC3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine
SMILESCC1CCN(CC(C)OC(C)C)C1
InChIInChI=1S/C11H23NO/c1-9(2)13-11(4)8-12-6-5-10(3)7-12/h9-11H,5-8H2,1-4H3
InChIKeyPBLGDMJXJWSPBN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine

3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine (PubChem CID 167534931) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine
PubChem CID167534931
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine
SMILESCC1CCN(CC(C)OC(C)C)C1
InChIInChI=1S/C11H23NO/c1-9(2)13-11(4)8-12-6-5-10(3)7-12/h9-11H,5-8H2,1-4H3
InChIKeyPBLGDMJXJWSPBN-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
4-methyl-1-(3-methylpyrrolidin-1-yl)pentan-2-amine
CID 61225825
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
1-(3-fluorobutyl)-3-methylpyrrolidine
CID 130660857
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
CID 23403793
CID 23403793
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397
N-ethyl-1-(3-methylpyrrolidin-1-yl)pentan-2-amine
CID 62044690
1-(2-methoxypropyl)-3-methylpiperidin-4-ol
CID 114502642

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine?
The IUPAC name of 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine (CID 167534931) is 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine?
The canonical SMILES for 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine is CC1CCN(CC(C)OC(C)C)C1.
What is the InChIKey of 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine?
The InChIKey is PBLGDMJXJWSPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)13-11(4)8-12-6-5-10(3)7-12/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine?
3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine is sourced from PubChem (CID 167534931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).