1-(4,5-dimethylimidazol-1-yl)butan-2-amine

C9H17N3 — CID 62350728

IUPAC1-(4,5-dimethylimidazol-1-yl)butan-2-amine
SMILESCCC(N)Cn1cnc(C)c1C
InChIInChI=1S/C9H17N3/c1-4-9(10)5-12-6-11-7(2)8(12)3/h6,9H,4-5,10H2,1-3H3
InChIKeyZRTCTCCOXSGBJH-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.24
Rot. Bonds3

About 1-(4,5-dimethylimidazol-1-yl)butan-2-amine

1-(4,5-dimethylimidazol-1-yl)butan-2-amine (PubChem CID 62350728) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)butan-2-amine
PubChem CID62350728
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(4,5-dimethylimidazol-1-yl)butan-2-amine
SMILESCCC(N)Cn1cnc(C)c1C
InChIInChI=1S/C9H17N3/c1-4-9(10)5-12-6-11-7(2)8(12)3/h6,9H,4-5,10H2,1-3H3
InChIKeyZRTCTCCOXSGBJH-UHFFFAOYSA-N
XLogP1.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)butan-2-amine (CID 62350728) is 1-(4,5-dimethylimidazol-1-yl)butan-2-amine.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)butan-2-amine is CCC(N)Cn1cnc(C)c1C.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
The InChIKey is ZRTCTCCOXSGBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9(10)5-12-6-11-7(2)8(12)3/h6,9H,4-5,10H2,1-3H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
1-(4,5-dimethylimidazol-1-yl)butan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 62350728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).