N-methyl-2,5-dihydro-1H-imidazol-5-amine

C4H9N3 — CID 141048160

IUPACN-methyl-2,5-dihydro-1H-imidazol-5-amine
SMILESCNC1C=NCN1
InChIInChI=1S/C4H9N3/c1-5-4-2-6-3-7-4/h2,4-5,7H,3H2,1H3
InChIKeyCLZRBDQIIQAQLR-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.84
Rot. Bonds1

About N-methyl-2,5-dihydro-1H-imidazol-5-amine

N-methyl-2,5-dihydro-1H-imidazol-5-amine (PubChem CID 141048160) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is N-methyl-2,5-dihydro-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-methyl-2,5-dihydro-1H-imidazol-5-amine
PubChem CID141048160
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC NameN-methyl-2,5-dihydro-1H-imidazol-5-amine
SMILESCNC1C=NCN1
InChIInChI=1S/C4H9N3/c1-5-4-2-6-3-7-4/h2,4-5,7H,3H2,1H3
InChIKeyCLZRBDQIIQAQLR-UHFFFAOYSA-N
XLogP-0.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,5-dihydro-1H-imidazol-5-amine?
The IUPAC name of N-methyl-2,5-dihydro-1H-imidazol-5-amine (CID 141048160) is N-methyl-2,5-dihydro-1H-imidazol-5-amine.
What is the SMILES notation for N-methyl-2,5-dihydro-1H-imidazol-5-amine?
The canonical SMILES for N-methyl-2,5-dihydro-1H-imidazol-5-amine is CNC1C=NCN1.
What is the InChIKey of N-methyl-2,5-dihydro-1H-imidazol-5-amine?
The InChIKey is CLZRBDQIIQAQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-5-4-2-6-3-7-4/h2,4-5,7H,3H2,1H3.
What are the key properties of N-methyl-2,5-dihydro-1H-imidazol-5-amine?
N-methyl-2,5-dihydro-1H-imidazol-5-amine has a molecular weight of 99.14 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,5-dihydro-1H-imidazol-5-amine is sourced from PubChem (CID 141048160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).