N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine

C14H21N3S — CID 64707252

IUPACN-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
SMILESCCNC(C)CC(C)n1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3S/c1-4-15-11(2)10-12(3)17-8-7-16-14(17)13-6-5-9-18-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyZJVBTJFEORADCQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.56
Rot. Bonds6

About N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine

N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine (PubChem CID 64707252) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
PubChem CID64707252
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
SMILESCCNC(C)CC(C)n1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3S/c1-4-15-11(2)10-12(3)17-8-7-16-14(17)13-6-5-9-18-13/h5-9,11-12,15H,4,10H2,1-3H3
InChIKeyZJVBTJFEORADCQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4291023
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N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
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CID 44339747
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CID 45829762
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
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N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45830130
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46984947
1-(1-Imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220679

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine (CID 64707252) is N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine is CCNC(C)CC(C)n1ccnc1-c1cccs1.
What is the InChIKey of N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine?
The InChIKey is ZJVBTJFEORADCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-15-11(2)10-12(3)17-8-7-16-14(17)13-6-5-9-18-13/h5-9,11-12,15H,4,10H2,1-3H3.
What are the key properties of N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine?
N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine is sourced from PubChem (CID 64707252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).