1-(1H-imidazol-5-yl)-N-methylmethanamine

C5H9N3 — CID 20675588

IUPAC1-(1H-imidazol-5-yl)-N-methylmethanamine
SMILESCNCc1cnc[nH]1
InChIInChI=1S/C5H9N3/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyVYAFJWHVHCBQBJ-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.13
Rot. Bonds2

About 1-(1H-imidazol-5-yl)-N-methylmethanamine

1-(1H-imidazol-5-yl)-N-methylmethanamine (PubChem CID 20675588) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-methylmethanamine
PubChem CID20675588
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-(1H-imidazol-5-yl)-N-methylmethanamine
SMILESCNCc1cnc[nH]1
InChIInChI=1S/C5H9N3/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeyVYAFJWHVHCBQBJ-UHFFFAOYSA-N
XLogP0.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
CID 62762970
N-(1H-imidazol-5-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358490
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 22084622
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
2-(1H-imidazol-5-ylmethylamino)-N-methylethanesulfonamide
CID 102674753
2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
CID 79254560
1-(1H-imidazol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724271
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
5-[(sulfamoylamino)methyl]-1H-imidazole
CID 57034342

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-methylmethanamine (CID 20675588) is 1-(1H-imidazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-methylmethanamine is CNCc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-methylmethanamine?
The InChIKey is VYAFJWHVHCBQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3,(H,7,8).
What are the key properties of 1-(1H-imidazol-5-yl)-N-methylmethanamine?
1-(1H-imidazol-5-yl)-N-methylmethanamine has a molecular weight of 111.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 20675588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).