ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine

C10H19N3 — CID 164916621

IUPACethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine
SMILESCC.CCn1ccnc1/C(C)=N/C
InChIInChI=1S/C8H13N3.C2H6/c1-4-11-6-5-10-8(11)7(2)9-3;1-2/h5-6H,4H2,1-3H3;1-2H3/b9-7+;
InChIKeyVGLOWYUMLMJDEX-BXTVWIJMSA-N
MW181.28 g/mol
LogP2.37
Rot. Bonds2

About ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine

ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine (PubChem CID 164916621) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine.

Molecular Properties

Compound Nameethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine
PubChem CID164916621
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Nameethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine
SMILESCC.CCn1ccnc1/C(C)=N/C
InChIInChI=1S/C8H13N3.C2H6/c1-4-11-6-5-10-8(11)7(2)9-3;1-2/h5-6H,4H2,1-3H3;1-2H3/b9-7+;
InChIKeyVGLOWYUMLMJDEX-BXTVWIJMSA-N
XLogP2.37
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine?
The IUPAC name of ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine (CID 164916621) is ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine.
What is the SMILES notation for ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine?
The canonical SMILES for ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine is CC.CCn1ccnc1/C(C)=N/C.
What is the InChIKey of ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine?
The InChIKey is VGLOWYUMLMJDEX-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-4-11-6-5-10-8(11)7(2)9-3;1-2/h5-6H,4H2,1-3H3;1-2H3/b9-7+;.
What are the key properties of ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine?
ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine has a molecular weight of 181.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-ethylimidazol-2-yl)-N-methylethanimine is sourced from PubChem (CID 164916621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).