1-(3-ethylimidazol-4-yl)-N-methylmethanamine

C7H13N3 — CID 66118213

IUPAC1-(3-ethylimidazol-4-yl)-N-methylmethanamine
SMILESCCn1cncc1CNC
InChIInChI=1S/C7H13N3/c1-3-10-6-9-5-7(10)4-8-2/h5-6,8H,3-4H2,1-2H3
InChIKeyGMSYNHUUHQKVSH-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.62
Rot. Bonds3

About 1-(3-ethylimidazol-4-yl)-N-methylmethanamine

1-(3-ethylimidazol-4-yl)-N-methylmethanamine (PubChem CID 66118213) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-N-methylmethanamine
PubChem CID66118213
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(3-ethylimidazol-4-yl)-N-methylmethanamine
SMILESCCn1cncc1CNC
InChIInChI=1S/C7H13N3/c1-3-10-6-9-5-7(10)4-8-2/h5-6,8H,3-4H2,1-2H3
InChIKeyGMSYNHUUHQKVSH-UHFFFAOYSA-N
XLogP0.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-N-methylmethanamine (CID 66118213) is 1-(3-ethylimidazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-N-methylmethanamine is CCn1cncc1CNC.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-N-methylmethanamine?
The InChIKey is GMSYNHUUHQKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10-6-9-5-7(10)4-8-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-N-methylmethanamine?
1-(3-ethylimidazol-4-yl)-N-methylmethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 66118213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).