3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one

C11H17N3O — CID 79643169

IUPAC3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
SMILESCN(Cc1nccn1C)C1CCC(=O)C1
InChIInChI=1S/C11H17N3O/c1-13-6-5-12-11(13)8-14(2)9-3-4-10(15)7-9/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyBJJIPZSYHQLFRC-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds3

About 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one

3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one (PubChem CID 79643169) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
PubChem CID79643169
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
SMILESCN(Cc1nccn1C)C1CCC(=O)C1
InChIInChI=1S/C11H17N3O/c1-13-6-5-12-11(13)8-14(2)9-3-4-10(15)7-9/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyBJJIPZSYHQLFRC-UHFFFAOYSA-N
XLogP0.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate
CID 79651560
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
CID 79859996
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639172
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
CID 63013410

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one?
The IUPAC name of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one (CID 79643169) is 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one.
What is the SMILES notation for 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one?
The canonical SMILES for 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one is CN(Cc1nccn1C)C1CCC(=O)C1.
What is the InChIKey of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one?
The InChIKey is BJJIPZSYHQLFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-5-12-11(13)8-14(2)9-3-4-10(15)7-9/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one?
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one has a molecular weight of 207.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one is sourced from PubChem (CID 79643169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).