(1-methyl-4,5-dihydroimidazol-2-yl)methanamine

C5H11N3 — CID 82418967

IUPAC(1-methyl-4,5-dihydroimidazol-2-yl)methanamine
SMILESCN1CCN=C1CN
InChIInChI=1S/C5H11N3/c1-8-3-2-7-5(8)4-6/h2-4,6H2,1H3
InChIKeyOPNWKBXQNZRYFX-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.71
Rot. Bonds1

About (1-methyl-4,5-dihydroimidazol-2-yl)methanamine

(1-methyl-4,5-dihydroimidazol-2-yl)methanamine (PubChem CID 82418967) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (1-methyl-4,5-dihydroimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-4,5-dihydroimidazol-2-yl)methanamine
PubChem CID82418967
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(1-methyl-4,5-dihydroimidazol-2-yl)methanamine
SMILESCN1CCN=C1CN
InChIInChI=1S/C5H11N3/c1-8-3-2-7-5(8)4-6/h2-4,6H2,1H3
InChIKeyOPNWKBXQNZRYFX-UHFFFAOYSA-N
XLogP-0.71
TPSA41.62 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 ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine?
The IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine (CID 82418967) is (1-methyl-4,5-dihydroimidazol-2-yl)methanamine.
What is the SMILES notation for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine?
The canonical SMILES for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine is CN1CCN=C1CN.
What is the InChIKey of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine?
The InChIKey is OPNWKBXQNZRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-8-3-2-7-5(8)4-6/h2-4,6H2,1H3.
What are the key properties of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine?
(1-methyl-4,5-dihydroimidazol-2-yl)methanamine has a molecular weight of 113.16 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine is sourced from PubChem (CID 82418967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).