2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride

C19H31ClN2O — CID 119811853

IUPAC2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCC(C)(CCc2ccccc2)C1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-4-15(2)17(20)18(22)21-13-12-19(3,14-21)11-10-16-8-6-5-7-9-16;/h5-9,15,17H,4,10-14,20H2,1-3H3;1H
InChIKeyLUBFAQSQNXAEBT-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.65
Rot. Bonds6

About 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride

2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119811853) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
PubChem CID119811853
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCC(C)(CCc2ccccc2)C1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-4-15(2)17(20)18(22)21-13-12-19(3,14-21)11-10-16-8-6-5-7-9-16;/h5-9,15,17H,4,10-14,20H2,1-3H3;1H
InChIKeyLUBFAQSQNXAEBT-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754
2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one
CID 119339757
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119811815
4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119777884
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795669
2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
CID 125146477
1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940178

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride (CID 119811853) is 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CCC(C)(CCc2ccccc2)C1.Cl.
What is the InChIKey of 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is LUBFAQSQNXAEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-4-15(2)17(20)18(22)21-13-12-19(3,14-21)11-10-16-8-6-5-7-9-16;/h5-9,15,17H,4,10-14,20H2,1-3H3;1H.
What are the key properties of 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride?
2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119811853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).