1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride

C17H27ClN2O — CID 119484757

IUPAC1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride
SMILESCCC(CC)(C(=O)N1CCC(CN)C1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-17(4-2,15-8-6-5-7-9-15)16(20)19-11-10-14(12-18)13-19;/h5-9,14H,3-4,10-13,18H2,1-2H3;1H
InChIKeyKUZHFAKWKPKVMH-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride (PubChem CID 119484757) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride
PubChem CID119484757
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride
SMILESCCC(CC)(C(=O)N1CCC(CN)C1)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-17(4-2,15-8-6-5-7-9-15)16(20)19-11-10-14(12-18)13-19;/h5-9,14H,3-4,10-13,18H2,1-2H3;1H
InChIKeyKUZHFAKWKPKVMH-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119539919
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethyl-2-phenylbutan-1-one
CID 119594274
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710
1-[(3R)-3-aminopyrrolidin-1-yl]-2,2-difluoro-2-phenylethanone;hydrochloride
CID 119411013
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylsulfanylbutan-1-one;hydrochloride
CID 119485209
(2S)-1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(dimethylamino)-2-phenylethanone
CID 124611587
1-(1,4-diazepan-1-yl)-2-ethyl-2-phenylbutan-1-one;hydrochloride
CID 119415836
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylsulfanylbutan-1-one
CID 119485210
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-2-(4-methylanilino)propan-1-one;dihydrochloride
CID 154884834
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride (CID 119484757) is 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride is CCC(CC)(C(=O)N1CCC(CN)C1)c1ccccc1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride?
The InChIKey is KUZHFAKWKPKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-17(4-2,15-8-6-5-7-9-15)16(20)19-11-10-14(12-18)13-19;/h5-9,14H,3-4,10-13,18H2,1-2H3;1H.
What are the key properties of 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride?
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidin-1-yl]-2-ethyl-2-phenylbutan-1-one;hydrochloride is sourced from PubChem (CID 119484757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).