2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone

C13H24N2O — CID 81425480

IUPAC2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNCC1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C13H24N2O/c1-14-10-12-7-4-8-15(12)13(16)9-11-5-2-3-6-11/h11-12,14H,2-10H2,1H3
InChIKeyBMQMWCSPEDIUIM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds4

About 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone (PubChem CID 81425480) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
PubChem CID81425480
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNCC1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C13H24N2O/c1-14-10-12-7-4-8-15(12)13(16)9-11-5-2-3-6-11/h11-12,14H,2-10H2,1H3
InChIKeyBMQMWCSPEDIUIM-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone (CID 81425480) is 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone is CNCC1CCCN1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is BMQMWCSPEDIUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-10-12-7-4-8-15(12)13(16)9-11-5-2-3-6-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 81425480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).