2-(methylaminomethyl)-4H-imidazol-5-amine

C5H10N4 — CID 90161355

IUPAC2-(methylaminomethyl)-4H-imidazol-5-amine
SMILESCNCC1=NCC(N)=N1
InChIInChI=1S/C5H10N4/c1-7-3-5-8-2-4(6)9-5/h7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyAYBSMXRTXYWVQZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-1.02
Rot. Bonds2

About 2-(methylaminomethyl)-4H-imidazol-5-amine

2-(methylaminomethyl)-4H-imidazol-5-amine (PubChem CID 90161355) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(methylaminomethyl)-4H-imidazol-5-amine.

Molecular Properties

Compound Name2-(methylaminomethyl)-4H-imidazol-5-amine
PubChem CID90161355
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-(methylaminomethyl)-4H-imidazol-5-amine
SMILESCNCC1=NCC(N)=N1
InChIInChI=1S/C5H10N4/c1-7-3-5-8-2-4(6)9-5/h7H,2-3H2,1H3,(H2,6,8,9)
InChIKeyAYBSMXRTXYWVQZ-UHFFFAOYSA-N
XLogP-1.02
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-4H-imidazol-5-amine?
The IUPAC name of 2-(methylaminomethyl)-4H-imidazol-5-amine (CID 90161355) is 2-(methylaminomethyl)-4H-imidazol-5-amine.
What is the SMILES notation for 2-(methylaminomethyl)-4H-imidazol-5-amine?
The canonical SMILES for 2-(methylaminomethyl)-4H-imidazol-5-amine is CNCC1=NCC(N)=N1.
What is the InChIKey of 2-(methylaminomethyl)-4H-imidazol-5-amine?
The InChIKey is AYBSMXRTXYWVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-7-3-5-8-2-4(6)9-5/h7H,2-3H2,1H3,(H2,6,8,9).
What are the key properties of 2-(methylaminomethyl)-4H-imidazol-5-amine?
2-(methylaminomethyl)-4H-imidazol-5-amine has a molecular weight of 126.16 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-4H-imidazol-5-amine is sourced from PubChem (CID 90161355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).