2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride

C14H27ClN2O2 — CID 119821813

IUPAC2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(C)COC1CCN(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11(2)10-18-13-5-6-16(9-13)14(17)8-15-7-12-3-4-12;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyCKRVBBIKAGLXTQ-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.68
Rot. Bonds7

About 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 119821813) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID119821813
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(C)COC1CCN(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11(2)10-18-13-5-6-16(9-13)14(17)8-15-7-12-3-4-12;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyCKRVBBIKAGLXTQ-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743037
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
CID 119697100
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793534
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
(1-aminocyclopentyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119345338
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride (CID 119821813) is 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride is CC(C)COC1CCN(C(=O)CNCC2CC2)C1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is CKRVBBIKAGLXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-11(2)10-18-13-5-6-16(9-13)14(17)8-15-7-12-3-4-12;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119821813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).