1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine

C14H25NS — CID 115849879

IUPAC1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
SMILESCCc1ccsc1C(CCC(C)(C)C)NC
InChIInChI=1S/C14H25NS/c1-6-11-8-10-16-13(11)12(15-5)7-9-14(2,3)4/h8,10,12,15H,6-7,9H2,1-5H3
InChIKeyMLNKZKKLRWGORG-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine

1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine (PubChem CID 115849879) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
PubChem CID115849879
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
SMILESCCc1ccsc1C(CCC(C)(C)C)NC
InChIInChI=1S/C14H25NS/c1-6-11-8-10-16-13(11)12(15-5)7-9-14(2,3)4/h8,10,12,15H,6-7,9H2,1-5H3
InChIKeyMLNKZKKLRWGORG-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-ethylthiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848297
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
CID 115849809
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030584
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
2-ethyl-1-(3-ethylthiophen-2-yl)-N-methylbutan-1-amine
CID 105013834
N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105140195
[1-(3-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335808
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine (CID 115849879) is 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine is CCc1ccsc1C(CCC(C)(C)C)NC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine?
The InChIKey is MLNKZKKLRWGORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-6-11-8-10-16-13(11)12(15-5)7-9-14(2,3)4/h8,10,12,15H,6-7,9H2,1-5H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine?
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 115849879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).