2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one

C16H30N2O — CID 62274579

IUPAC2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C16H30N2O/c1-3-5-8-13(4-2)16(19)18-12-7-10-15(18)14-9-6-11-17-14/h13-15,17H,3-12H2,1-2H3
InChIKeyNLMXNXUFZGDMAS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds6

About 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one

2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one (PubChem CID 62274579) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one
PubChem CID62274579
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C16H30N2O/c1-3-5-8-13(4-2)16(19)18-12-7-10-15(18)14-9-6-11-17-14/h13-15,17H,3-12H2,1-2H3
InChIKeyNLMXNXUFZGDMAS-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62274755
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 120613615
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 63395935
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 55168953
N,N-dimethyl-2-pyrrolidin-2-ylpyrrolidine-1-carboxamide
CID 79154748

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one (CID 62274579) is 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one is CCCCC(CC)C(=O)N1CCCC1C1CCCN1.
What is the InChIKey of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is NLMXNXUFZGDMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-5-8-13(4-2)16(19)18-12-7-10-15(18)14-9-6-11-17-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one?
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 62274579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).