[1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine

C11H22N2O — CID 130577654

IUPAC[1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCC(C1CCCO1)N1CCCC1CN
InChIInChI=1S/C11H22N2O/c1-9(11-5-3-7-14-11)13-6-2-4-10(13)8-12/h9-11H,2-8,12H2,1H3
InChIKeyIQLKMKSWVXLGPL-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds3

About [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine

[1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 130577654) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID130577654
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCC(C1CCCO1)N1CCCC1CN
InChIInChI=1S/C11H22N2O/c1-9(11-5-3-7-14-11)13-6-2-4-10(13)8-12/h9-11H,2-8,12H2,1H3
InChIKeyIQLKMKSWVXLGPL-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
2-[2-(aminomethyl)pyrrolidin-1-yl]butanenitrile
CID 115312740
1-[1-(oxolan-2-yl)ethyl]piperazine
CID 60862286
[1-(1-cyclopropylpropyl)pyrrolidin-2-yl]methanamine
CID 115311763
(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 111427958
5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
CID 64936919
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66148189
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
9-[1-(oxolan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714529
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169

Frequently Asked Questions

What is the IUPAC name of [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine (CID 130577654) is [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine is CC(C1CCCO1)N1CCCC1CN.
What is the InChIKey of [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is IQLKMKSWVXLGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(11-5-3-7-14-11)13-6-2-4-10(13)8-12/h9-11H,2-8,12H2,1H3.
What are the key properties of [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine?
[1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(oxolan-2-yl)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 130577654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).