1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone

C13H21N3O — CID 116584210

IUPAC1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCCC1CN
InChIInChI=1S/C13H21N3O/c1-2-16-7-6-15-13(16)8-12(17)11-5-3-4-10(11)9-14/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyMRUCRIGUZUWQAY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds5

About 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone

1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 116584210) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID116584210
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCCC1CN
InChIInChI=1S/C13H21N3O/c1-2-16-7-6-15-13(16)8-12(17)11-5-3-4-10(11)9-14/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyMRUCRIGUZUWQAY-UHFFFAOYSA-N
XLogP1.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
[2-[(1-ethylimidazol-2-yl)methoxymethyl]cyclopentyl]methanamine
CID 106938478
1-[2-(aminomethyl)cyclohexyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116584681
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-(1,4-dimethylpiperazin-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744941
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79970332
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783452
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone (CID 116584210) is 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)C1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is MRUCRIGUZUWQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-7-6-15-13(16)8-12(17)11-5-3-4-10(11)9-14/h6-7,10-11H,2-5,8-9,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone?
1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 116584210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).