N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine

C14H21N3S — CID 62041227

IUPACN-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
SMILESCCCNC(CC)Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3S/c1-3-7-15-12(4-2)11-17-9-8-16-14(17)13-6-5-10-18-13/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3
InChIKeyHRWBTKRACWSHEU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.39
Rot. Bonds7

About N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine

N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine (PubChem CID 62041227) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
PubChem CID62041227
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
SMILESCCCNC(CC)Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3S/c1-3-7-15-12(4-2)11-17-9-8-16-14(17)13-6-5-10-18-13/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3
InChIKeyHRWBTKRACWSHEU-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine?
The IUPAC name of N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine (CID 62041227) is N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine.
What is the SMILES notation for N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine?
The canonical SMILES for N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine is CCCNC(CC)Cn1ccnc1-c1cccs1.
What is the InChIKey of N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine?
The InChIKey is HRWBTKRACWSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-7-15-12(4-2)11-17-9-8-16-14(17)13-6-5-10-18-13/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3.
What are the key properties of N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine?
N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 62041227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).