1-methyl-3-propylimidazol-2-imine

C7H13N3 — CID 45087779

IUPAC1-methyl-3-propylimidazol-2-imine
SMILES[H]/N=c1\n(C)ccn1CCC
InChIInChI=1S/C7H13N3/c1-3-4-10-6-5-9(2)7(10)8/h5-6,8H,3-4H2,1-2H3/b8-7+
InChIKeyYUSQSUPQEOSNAO-BQYQJAHWSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds2

About 1-methyl-3-propylimidazol-2-imine

1-methyl-3-propylimidazol-2-imine (PubChem CID 45087779) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-methyl-3-propylimidazol-2-imine.

Molecular Properties

Compound Name1-methyl-3-propylimidazol-2-imine
PubChem CID45087779
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-methyl-3-propylimidazol-2-imine
SMILES[H]/N=c1\n(C)ccn1CCC
InChIInChI=1S/C7H13N3/c1-3-4-10-6-5-9(2)7(10)8/h5-6,8H,3-4H2,1-2H3/b8-7+
InChIKeyYUSQSUPQEOSNAO-BQYQJAHWSA-N
XLogP0.72
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylimidazol-2-imine?
The IUPAC name of 1-methyl-3-propylimidazol-2-imine (CID 45087779) is 1-methyl-3-propylimidazol-2-imine.
What is the SMILES notation for 1-methyl-3-propylimidazol-2-imine?
The canonical SMILES for 1-methyl-3-propylimidazol-2-imine is [H]/N=c1\n(C)ccn1CCC.
What is the InChIKey of 1-methyl-3-propylimidazol-2-imine?
The InChIKey is YUSQSUPQEOSNAO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-10-6-5-9(2)7(10)8/h5-6,8H,3-4H2,1-2H3/b8-7+.
What are the key properties of 1-methyl-3-propylimidazol-2-imine?
1-methyl-3-propylimidazol-2-imine has a molecular weight of 139.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylimidazol-2-imine is sourced from PubChem (CID 45087779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).