5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine

C14H25NS — CID 64715317

IUPAC5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine
SMILESCCc1ccc(CC(C)(C)CC(C)NC)s1
InChIInChI=1S/C14H25NS/c1-6-12-7-8-13(16-12)10-14(3,4)9-11(2)15-5/h7-8,11,15H,6,9-10H2,1-5H3
InChIKeyPQLDWSVHVIUYRP-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.88
Rot. Bonds6

About 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine

5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine (PubChem CID 64715317) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine
PubChem CID64715317
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine
SMILESCCc1ccc(CC(C)(C)CC(C)NC)s1
InChIInChI=1S/C14H25NS/c1-6-12-7-8-13(16-12)10-14(3,4)9-11(2)15-5/h7-8,11,15H,6,9-10H2,1-5H3
InChIKeyPQLDWSVHVIUYRP-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
CID 64718072
1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine
CID 62622020
3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol
CID 65394038
2-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450812
2,5-diethylthiophene
CID 521294
2-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450205
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 64539860
tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
CID 83226704
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
2-[2-(bromomethyl)-2-methylbut-3-enyl]-5-ethylthiophene
CID 102642284

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine (CID 64715317) is 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine is CCc1ccc(CC(C)(C)CC(C)NC)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine?
The InChIKey is PQLDWSVHVIUYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-6-12-7-8-13(16-12)10-14(3,4)9-11(2)15-5/h7-8,11,15H,6,9-10H2,1-5H3.
What are the key properties of 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine?
5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine has a molecular weight of 239.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 64715317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).