(1-ethylimidazol-4-yl)methanamine

C6H11N3 — CID 82467725

IUPAC(1-ethylimidazol-4-yl)methanamine
SMILESCCn1cnc(CN)c1
InChIInChI=1S/C6H11N3/c1-2-9-4-6(3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChIKeyDQCATUYBSDRAKY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.36
Rot. Bonds2

About (1-ethylimidazol-4-yl)methanamine

(1-ethylimidazol-4-yl)methanamine (PubChem CID 82467725) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1-ethylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-4-yl)methanamine
PubChem CID82467725
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1-ethylimidazol-4-yl)methanamine
SMILESCCn1cnc(CN)c1
InChIInChI=1S/C6H11N3/c1-2-9-4-6(3-7)8-5-9/h4-5H,2-3,7H2,1H3
InChIKeyDQCATUYBSDRAKY-UHFFFAOYSA-N
XLogP0.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-4-yl)methanamine?
The IUPAC name of (1-ethylimidazol-4-yl)methanamine (CID 82467725) is (1-ethylimidazol-4-yl)methanamine.
What is the SMILES notation for (1-ethylimidazol-4-yl)methanamine?
The canonical SMILES for (1-ethylimidazol-4-yl)methanamine is CCn1cnc(CN)c1.
What is the InChIKey of (1-ethylimidazol-4-yl)methanamine?
The InChIKey is DQCATUYBSDRAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-9-4-6(3-7)8-5-9/h4-5H,2-3,7H2,1H3.
What are the key properties of (1-ethylimidazol-4-yl)methanamine?
(1-ethylimidazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-4-yl)methanamine is sourced from PubChem (CID 82467725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).