(2-ethyl-1H-imidazol-5-yl)methanamine

C6H11N3 — CID 63108781

IUPAC(2-ethyl-1H-imidazol-5-yl)methanamine
SMILESCCc1ncc(CN)[nH]1
InChIInChI=1S/C6H11N3/c1-2-6-8-4-5(3-7)9-6/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeyYDCBPRUBLDZYBI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.43
Rot. Bonds2

About (2-ethyl-1H-imidazol-5-yl)methanamine

(2-ethyl-1H-imidazol-5-yl)methanamine (PubChem CID 63108781) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (2-ethyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-1H-imidazol-5-yl)methanamine
PubChem CID63108781
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(2-ethyl-1H-imidazol-5-yl)methanamine
SMILESCCc1ncc(CN)[nH]1
InChIInChI=1S/C6H11N3/c1-2-6-8-4-5(3-7)9-6/h4H,2-3,7H2,1H3,(H,8,9)
InChIKeyYDCBPRUBLDZYBI-UHFFFAOYSA-N
XLogP0.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of (2-ethyl-1H-imidazol-5-yl)methanamine (CID 63108781) is (2-ethyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for (2-ethyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for (2-ethyl-1H-imidazol-5-yl)methanamine is CCc1ncc(CN)[nH]1.
What is the InChIKey of (2-ethyl-1H-imidazol-5-yl)methanamine?
The InChIKey is YDCBPRUBLDZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-6-8-4-5(3-7)9-6/h4H,2-3,7H2,1H3,(H,8,9).
What are the key properties of (2-ethyl-1H-imidazol-5-yl)methanamine?
(2-ethyl-1H-imidazol-5-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 63108781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).