2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one

C17H26N2O — CID 60938876

IUPAC2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-3-11-16(18)17(20)19-12-7-10-15(19)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-13,18H2,1H3
InChIKeyANYFZDTZCXLOCU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.74
Rot. Bonds6

About 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one

2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one (PubChem CID 60938876) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
PubChem CID60938876
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-3-11-16(18)17(20)19-12-7-10-15(19)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-13,18H2,1H3
InChIKeyANYFZDTZCXLOCU-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
CID 119316545
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
(2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107218083
(2S)-2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217869
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
1-(2-benzylpyrrolidin-1-yl)-3-bromo-2-methylpropan-1-one
CID 159719020
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one (CID 60938876) is 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one is CCCCC(N)C(=O)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is ANYFZDTZCXLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-11-16(18)17(20)19-12-7-10-15(19)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-13,18H2,1H3.
What are the key properties of 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one?
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 60938876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).