N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine

C12H21NS — CID 63774462

IUPACN-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cccs1
InChIInChI=1S/C12H21NS/c1-4-13-10-12(2,3)8-7-11-6-5-9-14-11/h5-6,9,13H,4,7-8,10H2,1-3H3
InChIKeyLZWVQPRETTVQFY-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.32
Rot. Bonds6

About N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine

N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63774462) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63774462
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCNCC(C)(C)CCc1cccs1
InChIInChI=1S/C12H21NS/c1-4-13-10-12(2,3)8-7-11-6-5-9-14-11/h5-6,9,13H,4,7-8,10H2,1-3H3
InChIKeyLZWVQPRETTVQFY-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
N-ethyl-2-methyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62355435
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
methyl 3,3-dimethyl-5-thiophen-2-ylpentanoate
CID 14256071
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
3-chloro-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115363553
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine (CID 63774462) is N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine is CCNCC(C)(C)CCc1cccs1.
What is the InChIKey of N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is LZWVQPRETTVQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-13-10-12(2,3)8-7-11-6-5-9-14-11/h5-6,9,13H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine?
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63774462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).