N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine

C10H17NS — CID 62395733

IUPACN,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine
SMILESCNC(c1ccsc1)C(C)(C)C
InChIInChI=1S/C10H17NS/c1-10(2,3)9(11-4)8-5-6-12-7-8/h5-7,9,11H,1-4H3
InChIKeyYTKKGLLLRBNFGX-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.05
Rot. Bonds2

About N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine

N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine (PubChem CID 62395733) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine
PubChem CID62395733
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine
SMILESCNC(c1ccsc1)C(C)(C)C
InChIInChI=1S/C10H17NS/c1-10(2,3)9(11-4)8-5-6-12-7-8/h5-7,9,11H,1-4H3
InChIKeyYTKKGLLLRBNFGX-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363
2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
CID 65133054
(2-methyl-2-methylsulfonyl-1-thiophen-3-ylpropyl)hydrazine
CID 105312096
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-hydrazinyl-N,N,2-trimethyl-1-thiophen-3-ylbutan-2-amine
CID 105240466
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-3-ylmethanamine
CID 104988232
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
N-methyl-1-(2-methylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65420629
(2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropyl)hydrazine
CID 105239795
methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine (CID 62395733) is N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine is CNC(c1ccsc1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is YTKKGLLLRBNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-10(2,3)9(11-4)8-5-6-12-7-8/h5-7,9,11H,1-4H3.
What are the key properties of N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine?
N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 183.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62395733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).