1-[2-(methylaminomethyl)cyclopentyl]propan-1-one

C10H19NO — CID 166977994

IUPAC1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
SMILESCCC(=O)C1CCCC1CNC
InChIInChI=1S/C10H19NO/c1-3-10(12)9-6-4-5-8(9)7-11-2/h8-9,11H,3-7H2,1-2H3
InChIKeySZQDIIROUOTTJB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one

1-[2-(methylaminomethyl)cyclopentyl]propan-1-one (PubChem CID 166977994) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
PubChem CID166977994
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
SMILESCCC(=O)C1CCCC1CNC
InChIInChI=1S/C10H19NO/c1-3-10(12)9-6-4-5-8(9)7-11-2/h8-9,11H,3-7H2,1-2H3
InChIKeySZQDIIROUOTTJB-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclopentyl)propan-1-one
CID 12930148
1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one
CID 89084410
N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide
CID 143733177
N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
CID 143839933
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890
1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one
CID 144530099
1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone
CID 89340601
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
CID 178190862
N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
CID 144530066
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 106824409
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
CID 67724946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one?
The IUPAC name of 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one (CID 166977994) is 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one.
What is the SMILES notation for 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one?
The canonical SMILES for 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one is CCC(=O)C1CCCC1CNC.
What is the InChIKey of 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one?
The InChIKey is SZQDIIROUOTTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(12)9-6-4-5-8(9)7-11-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one?
1-[2-(methylaminomethyl)cyclopentyl]propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)cyclopentyl]propan-1-one is sourced from PubChem (CID 166977994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).