1-(2,3-dimethylimidazol-4-yl)propan-2-amine

C8H15N3 — CID 58319073

IUPAC1-(2,3-dimethylimidazol-4-yl)propan-2-amine
SMILESCc1ncc(CC(C)N)n1C
InChIInChI=1S/C8H15N3/c1-6(9)4-8-5-10-7(2)11(8)3/h5-6H,4,9H2,1-3H3
InChIKeyGTPDKJNIWBYWRI-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.62
Rot. Bonds2

About 1-(2,3-dimethylimidazol-4-yl)propan-2-amine

1-(2,3-dimethylimidazol-4-yl)propan-2-amine (PubChem CID 58319073) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(2,3-dimethylimidazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylimidazol-4-yl)propan-2-amine
PubChem CID58319073
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(2,3-dimethylimidazol-4-yl)propan-2-amine
SMILESCc1ncc(CC(C)N)n1C
InChIInChI=1S/C8H15N3/c1-6(9)4-8-5-10-7(2)11(8)3/h5-6H,4,9H2,1-3H3
InChIKeyGTPDKJNIWBYWRI-UHFFFAOYSA-N
XLogP0.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylimidazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2,3-dimethylimidazol-4-yl)propan-2-amine (CID 58319073) is 1-(2,3-dimethylimidazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dimethylimidazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2,3-dimethylimidazol-4-yl)propan-2-amine is Cc1ncc(CC(C)N)n1C.
What is the InChIKey of 1-(2,3-dimethylimidazol-4-yl)propan-2-amine?
The InChIKey is GTPDKJNIWBYWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9)4-8-5-10-7(2)11(8)3/h5-6H,4,9H2,1-3H3.
What are the key properties of 1-(2,3-dimethylimidazol-4-yl)propan-2-amine?
1-(2,3-dimethylimidazol-4-yl)propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylimidazol-4-yl)propan-2-amine is sourced from PubChem (CID 58319073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).