[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone

C13H24N2O — CID 79180772

IUPAC[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC2CN)CC1C
InChIInChI=1S/C13H24N2O/c1-9-7-15(8-10(9)2)13(16)12-5-3-4-11(12)6-14/h9-12H,3-8,14H2,1-2H3
InChIKeyAPEREGRXLGOPAC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.48
Rot. Bonds2

About [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone

[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79180772) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79180772
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC2CN)CC1C
InChIInChI=1S/C13H24N2O/c1-9-7-15(8-10(9)2)13(16)12-5-3-4-11(12)6-14/h9-12H,3-8,14H2,1-2H3
InChIKeyAPEREGRXLGOPAC-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217496
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957097
(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79186972
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625074
[2-(aminomethyl)cyclohexyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743617
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695746
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79180772) is [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)C2CCCC2CN)CC1C.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is APEREGRXLGOPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-7-15(8-10(9)2)13(16)12-5-3-4-11(12)6-14/h9-12H,3-8,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79180772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).