3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine

C14H21N3S — CID 114705738

IUPAC3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1C(C)c1ccsc1
InChIInChI=1S/C14H21N3S/c1-10(2)6-13(15)14-7-16-9-17(14)11(3)12-4-5-18-8-12/h4-5,7-11,13H,6,15H2,1-3H3
InChIKeyNLIOCYBDVCRZQO-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.60
Rot. Bonds5

About 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine

3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine (PubChem CID 114705738) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine
PubChem CID114705738
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1C(C)c1ccsc1
InChIInChI=1S/C14H21N3S/c1-10(2)6-13(15)14-7-16-9-17(14)11(3)12-4-5-18-8-12/h4-5,7-11,13H,6,15H2,1-3H3
InChIKeyNLIOCYBDVCRZQO-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine (CID 114705738) is 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1C(C)c1ccsc1.
What is the InChIKey of 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine?
The InChIKey is NLIOCYBDVCRZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(2)6-13(15)14-7-16-9-17(14)11(3)12-4-5-18-8-12/h4-5,7-11,13H,6,15H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114705738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).