3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine

C14H27N3 — CID 114201111

IUPAC3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine
SMILESCCCCn1c(C)nc(C(C)CC(C)C)c1N
InChIInChI=1S/C14H27N3/c1-6-7-8-17-12(5)16-13(14(17)15)11(4)9-10(2)3/h10-11H,6-9,15H2,1-5H3
InChIKeyYZRJJPXPTXPXRX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.72
Rot. Bonds6

About 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine

3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine (PubChem CID 114201111) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine
PubChem CID114201111
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine
SMILESCCCCn1c(C)nc(C(C)CC(C)C)c1N
InChIInChI=1S/C14H27N3/c1-6-7-8-17-12(5)16-13(14(17)15)11(4)9-10(2)3/h10-11H,6-9,15H2,1-5H3
InChIKeyYZRJJPXPTXPXRX-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine (CID 114201111) is 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine is CCCCn1c(C)nc(C(C)CC(C)C)c1N.
What is the InChIKey of 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine?
The InChIKey is YZRJJPXPTXPXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-7-8-17-12(5)16-13(14(17)15)11(4)9-10(2)3/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine?
3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-5-(4-methylpentan-2-yl)imidazol-4-amine is sourced from PubChem (CID 114201111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).