[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine

C6H12N4 — CID 55289219

IUPAC[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine
SMILESCc1nc(CN)c(CN)[nH]1
InChIInChI=1S/C6H12N4/c1-4-9-5(2-7)6(3-8)10-4/h2-3,7-8H2,1H3,(H,9,10)
InChIKeyXEEDXEZJLVRKLE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.36
Rot. Bonds2

About [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine

[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine (PubChem CID 55289219) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine
PubChem CID55289219
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine
SMILESCc1nc(CN)c(CN)[nH]1
InChIInChI=1S/C6H12N4/c1-4-9-5(2-7)6(3-8)10-4/h2-3,7-8H2,1H3,(H,9,10)
InChIKeyXEEDXEZJLVRKLE-UHFFFAOYSA-N
XLogP-0.36
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The IUPAC name of [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine (CID 55289219) is [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine is Cc1nc(CN)c(CN)[nH]1.
What is the InChIKey of [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The InChIKey is XEEDXEZJLVRKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4-9-5(2-7)6(3-8)10-4/h2-3,7-8H2,1H3,(H,9,10).
What are the key properties of [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine?
[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine has a molecular weight of 140.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 55289219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).