3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine

C9H17N3 — CID 62446670

IUPAC3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine
SMILESCc1nccn1C(CN)C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)9(6-10)12-5-4-11-8(12)3/h4-5,7,9H,6,10H2,1-3H3
InChIKeyZJZJBANIAJGLFZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.35
Rot. Bonds3

About 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine

3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine (PubChem CID 62446670) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine
PubChem CID62446670
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine
SMILESCc1nccn1C(CN)C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)9(6-10)12-5-4-11-8(12)3/h4-5,7,9H,6,10H2,1-3H3
InChIKeyZJZJBANIAJGLFZ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine (CID 62446670) is 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine is Cc1nccn1C(CN)C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine?
The InChIKey is ZJZJBANIAJGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)9(6-10)12-5-4-11-8(12)3/h4-5,7,9H,6,10H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine?
3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 62446670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).