1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride

C12H25ClN2O — CID 120843380

IUPAC1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(CCC2CCOC2)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(13)12-3-6-14(8-12)5-2-11-4-7-15-9-11;/h10-12H,2-9,13H2,1H3;1H
InChIKeySXADQSMETFXVCF-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.50
Rot. Bonds4

About 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride

1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride (PubChem CID 120843380) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride
PubChem CID120843380
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(CCC2CCOC2)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(13)12-3-6-14(8-12)5-2-11-4-7-15-9-11;/h10-12H,2-9,13H2,1H3;1H
InChIKeySXADQSMETFXVCF-UHFFFAOYSA-N
XLogP1.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114129866
[4-[2-(oxolan-3-yl)ethyl]morpholin-2-yl]methanamine
CID 120844455
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129863
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984
4-ethynyl-1-[2-(oxan-4-yl)ethyl]-3-propan-2-ylpiperidine
CID 165020397
1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
CID 63846947
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 120845703
(2R,6R)-2,6-dimethyl-4-[2-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]ethyl]morpholine
CID 97092866

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride (CID 120843380) is 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCN(CCC2CCOC2)C1.Cl.
What is the InChIKey of 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The InChIKey is SXADQSMETFXVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(13)12-3-6-14(8-12)5-2-11-4-7-15-9-11;/h10-12H,2-9,13H2,1H3;1H.
What are the key properties of 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120843380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).