3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine

C12H21NS — CID 83139185

IUPAC3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine
SMILESCC(C)(C)C(CN)CCc1ccsc1
InChIInChI=1S/C12H21NS/c1-12(2,3)11(8-13)5-4-10-6-7-14-9-10/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyNTOSDGBDCCMTLY-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.30
Rot. Bonds4

About 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine

3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine (PubChem CID 83139185) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine
PubChem CID83139185
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine
SMILESCC(C)(C)C(CN)CCc1ccsc1
InChIInChI=1S/C12H21NS/c1-12(2,3)11(8-13)5-4-10-6-7-14-9-10/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyNTOSDGBDCCMTLY-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139408
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
3-(6,6-dimethylheptyl)thiophene
CID 174801737
2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79442182
1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65132704
2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
CID 79417369
3-[4-chloro-3-(chloromethyl)butyl]thiophene
CID 79448287
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
CID 65131707
1-thiophen-3-ylnonan-3-amine
CID 115857036
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
3-(5-bromohexyl)thiophene
CID 64506689

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine (CID 83139185) is 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine is CC(C)(C)C(CN)CCc1ccsc1.
What is the InChIKey of 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
The InChIKey is NTOSDGBDCCMTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-12(2,3)11(8-13)5-4-10-6-7-14-9-10/h6-7,9,11H,4-5,8,13H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine is sourced from PubChem (CID 83139185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).