4-(2-ethylimidazol-1-yl)-1-methylazepane

C12H21N3 — CID 84734196

IUPAC4-(2-ethylimidazol-1-yl)-1-methylazepane
SMILESCCc1nccn1C1CCCN(C)CC1
InChIInChI=1S/C12H21N3/c1-3-12-13-7-10-15(12)11-5-4-8-14(2)9-6-11/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyMOPVQBXVWNJZPU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.10
Rot. Bonds2

About 4-(2-ethylimidazol-1-yl)-1-methylazepane

4-(2-ethylimidazol-1-yl)-1-methylazepane (PubChem CID 84734196) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-1-methylazepane.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-1-methylazepane
PubChem CID84734196
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(2-ethylimidazol-1-yl)-1-methylazepane
SMILESCCc1nccn1C1CCCN(C)CC1
InChIInChI=1S/C12H21N3/c1-3-12-13-7-10-15(12)11-5-4-8-14(2)9-6-11/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyMOPVQBXVWNJZPU-UHFFFAOYSA-N
XLogP2.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethylimidazol-1-yl)-1-methylazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-1-methylazepane?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-1-methylazepane (CID 84734196) is 4-(2-ethylimidazol-1-yl)-1-methylazepane.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-1-methylazepane?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-1-methylazepane is CCc1nccn1C1CCCN(C)CC1.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-1-methylazepane?
The InChIKey is MOPVQBXVWNJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-12-13-7-10-15(12)11-5-4-8-14(2)9-6-11/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)-1-methylazepane?
4-(2-ethylimidazol-1-yl)-1-methylazepane has a molecular weight of 207.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-1-methylazepane is sourced from PubChem (CID 84734196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).