1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine

C11H22N2O — CID 80715611

IUPAC1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(C2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-9(2)12-10-3-5-13(7-10)11-4-6-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyMLTABFNTXLYBQY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds3

About 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine

1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 80715611) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine
PubChem CID80715611
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(C2CCOC2)C1
InChIInChI=1S/C11H22N2O/c1-9(2)12-10-3-5-13(7-10)11-4-6-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyMLTABFNTXLYBQY-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
CID 63846947
1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine
CID 167249154
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79071917
(3S)-1-(oxolan-3-yl)pyrrolidin-3-ol
CID 115277616
1-morpholin-4-yl-N-propan-2-ylpyrrolidin-3-amine
CID 83024719
1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114115331
2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067
N-[(1S)-1-cyclohexylethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81387724
1-(oxolan-3-yl)-3-propan-2-ylpiperazine
CID 64833613
3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 178050456
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
7-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 170106719

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine (CID 80715611) is 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine is CC(C)NC1CCN(C2CCOC2)C1.
What is the InChIKey of 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is MLTABFNTXLYBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)12-10-3-5-13(7-10)11-4-6-14-8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine?
1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 80715611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).