[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride

C14H27ClN2O2 — CID 119149844

IUPAC[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)CCOC1CCN(C(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11(2)6-9-18-12-5-8-16(10-12)14(17)13-4-3-7-15-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyOIARVDLSJSYXAL-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.82
Rot. Bonds5

About [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride

[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119149844) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119149844
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)CCOC1CCN(C(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11(2)6-9-18-12-5-8-16(10-12)14(17)13-4-3-7-15-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyOIARVDLSJSYXAL-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropoxy)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119345316
(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119321499
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
[3-(3-methylbutoxy)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119789495
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride (CID 119149844) is [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride is CC(C)CCOC1CCN(C(=O)C2CCCN2)C1.Cl.
What is the InChIKey of [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is OIARVDLSJSYXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-11(2)6-9-18-12-5-8-16(10-12)14(17)13-4-3-7-15-13;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride?
[3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutoxy)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119149844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).