2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

C14H27N3O — CID 82835820

IUPAC2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(C1CCCO1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H27N3O/c15-10-13(14-4-3-9-18-14)17-8-5-12(11-17)16-6-1-2-7-16/h12-14H,1-11,15H2
InChIKeyQCSYHXQWIYBMDN-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.66
Rot. Bonds4

About 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 82835820) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID82835820
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESNCC(C1CCCO1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H27N3O/c15-10-13(14-4-3-9-18-14)17-8-5-12(11-17)16-6-1-2-7-16/h12-14H,1-11,15H2
InChIKeyQCSYHXQWIYBMDN-UHFFFAOYSA-N
XLogP0.66
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine
CID 82835938
2-cyclopentyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171954
2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63169631
2-(oxolan-2-yl)-2-thiomorpholin-4-ylethanamine
CID 82836499
2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62384679
2-(3,3-diethylpyrrolidin-1-yl)-2-(oxolan-2-yl)ethanamine
CID 82835130
2-(oxolan-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 82835815
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
2-(2,5-dimethylmorpholin-4-yl)-2-(oxolan-2-yl)ethanamine
CID 82836404
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (CID 82835820) is 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is NCC(C1CCCO1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is QCSYHXQWIYBMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-10-13(14-4-3-9-18-14)17-8-5-12(11-17)16-6-1-2-7-16/h12-14H,1-11,15H2.
What are the key properties of 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 82835820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).