(3-methyl-2H-imidazol-1-yl)methanamine

C5H11N3 — CID 67991227

IUPAC(3-methyl-2H-imidazol-1-yl)methanamine
SMILESCN1C=CN(CN)C1
InChIInChI=1S/C5H11N3/c1-7-2-3-8(4-6)5-7/h2-3H,4-6H2,1H3
InChIKeyUXHWTJYYWWBTQO-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.42
Rot. Bonds1

About (3-methyl-2H-imidazol-1-yl)methanamine

(3-methyl-2H-imidazol-1-yl)methanamine (PubChem CID 67991227) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (3-methyl-2H-imidazol-1-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-2H-imidazol-1-yl)methanamine
PubChem CID67991227
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(3-methyl-2H-imidazol-1-yl)methanamine
SMILESCN1C=CN(CN)C1
InChIInChI=1S/C5H11N3/c1-7-2-3-8(4-6)5-7/h2-3H,4-6H2,1H3
InChIKeyUXHWTJYYWWBTQO-UHFFFAOYSA-N
XLogP-0.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-imidazol-1-yl)methanamine?
The IUPAC name of (3-methyl-2H-imidazol-1-yl)methanamine (CID 67991227) is (3-methyl-2H-imidazol-1-yl)methanamine.
What is the SMILES notation for (3-methyl-2H-imidazol-1-yl)methanamine?
The canonical SMILES for (3-methyl-2H-imidazol-1-yl)methanamine is CN1C=CN(CN)C1.
What is the InChIKey of (3-methyl-2H-imidazol-1-yl)methanamine?
The InChIKey is UXHWTJYYWWBTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-7-2-3-8(4-6)5-7/h2-3H,4-6H2,1H3.
What are the key properties of (3-methyl-2H-imidazol-1-yl)methanamine?
(3-methyl-2H-imidazol-1-yl)methanamine has a molecular weight of 113.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-imidazol-1-yl)methanamine is sourced from PubChem (CID 67991227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).