1-(4H-imidazol-2-yl)-N-methylmethanamine

C5H9N3 — CID 20806704

IUPAC1-(4H-imidazol-2-yl)-N-methylmethanamine
SMILESCNCC1=NCC=N1
InChIInChI=1S/C5H9N3/c1-6-4-5-7-2-3-8-5/h2,6H,3-4H2,1H3
InChIKeyAHTZGWPIQUZPCX-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.31
Rot. Bonds2

About 1-(4H-imidazol-2-yl)-N-methylmethanamine

1-(4H-imidazol-2-yl)-N-methylmethanamine (PubChem CID 20806704) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-(4H-imidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4H-imidazol-2-yl)-N-methylmethanamine
PubChem CID20806704
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-(4H-imidazol-2-yl)-N-methylmethanamine
SMILESCNCC1=NCC=N1
InChIInChI=1S/C5H9N3/c1-6-4-5-7-2-3-8-5/h2,6H,3-4H2,1H3
InChIKeyAHTZGWPIQUZPCX-UHFFFAOYSA-N
XLogP-0.31
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-imidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4H-imidazol-2-yl)-N-methylmethanamine (CID 20806704) is 1-(4H-imidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4H-imidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4H-imidazol-2-yl)-N-methylmethanamine is CNCC1=NCC=N1.
What is the InChIKey of 1-(4H-imidazol-2-yl)-N-methylmethanamine?
The InChIKey is AHTZGWPIQUZPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-6-4-5-7-2-3-8-5/h2,6H,3-4H2,1H3.
What are the key properties of 1-(4H-imidazol-2-yl)-N-methylmethanamine?
1-(4H-imidazol-2-yl)-N-methylmethanamine has a molecular weight of 111.15 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-imidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 20806704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).