3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine

C12H21N3 — CID 79762054

IUPAC3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCn1ccnc1CC1CCC(N)C1C
InChIInChI=1S/C12H21N3/c1-3-15-7-6-14-12(15)8-10-4-5-11(13)9(10)2/h6-7,9-11H,3-5,8,13H2,1-2H3
InChIKeyATHIKTDDFDLZPY-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds3

About 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine

3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 79762054) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
PubChem CID79762054
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCn1ccnc1CC1CCC(N)C1C
InChIInChI=1S/C12H21N3/c1-3-15-7-6-14-12(15)8-10-4-5-11(13)9(10)2/h6-7,9-11H,3-5,8,13H2,1-2H3
InChIKeyATHIKTDDFDLZPY-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 114510622
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
CID 106780433
N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910386
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine (CID 79762054) is 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine is CCn1ccnc1CC1CCC(N)C1C.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is ATHIKTDDFDLZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15-7-6-14-12(15)8-10-4-5-11(13)9(10)2/h6-7,9-11H,3-5,8,13H2,1-2H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 79762054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).