(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine

C8H11N3 — CID 65173073

IUPAC(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
SMILESC#CCn1c(CN)cnc1C
InChIInChI=1S/C8H11N3/c1-3-4-11-7(2)10-6-8(11)5-9/h1,6H,4-5,9H2,2H3
InChIKeyRSXDWIJXKQYPOE-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.28
Rot. Bonds2

About (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine

(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine (PubChem CID 65173073) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
PubChem CID65173073
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
SMILESC#CCn1c(CN)cnc1C
InChIInChI=1S/C8H11N3/c1-3-4-11-7(2)10-6-8(11)5-9/h1,6H,4-5,9H2,2H3
InChIKeyRSXDWIJXKQYPOE-UHFFFAOYSA-N
XLogP0.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine?
The IUPAC name of (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine (CID 65173073) is (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine.
What is the SMILES notation for (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine?
The canonical SMILES for (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine is C#CCn1c(CN)cnc1C.
What is the InChIKey of (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine?
The InChIKey is RSXDWIJXKQYPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-11-7(2)10-6-8(11)5-9/h1,6H,4-5,9H2,2H3.
What are the key properties of (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine?
(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine has a molecular weight of 149.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine is sourced from PubChem (CID 65173073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).