2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine

C11H19NS — CID 62090002

IUPAC2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCC(NCC(C)(C)C)c1ccsc1
InChIInChI=1S/C11H19NS/c1-9(10-5-6-13-7-10)12-8-11(2,3)4/h5-7,9,12H,8H2,1-4H3
InChIKeyHEISCSQLQSNFPG-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.44
Rot. Bonds3

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

2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine (PubChem CID 62090002) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
PubChem CID62090002
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCC(NCC(C)(C)C)c1ccsc1
InChIInChI=1S/C11H19NS/c1-9(10-5-6-13-7-10)12-8-11(2,3)4/h5-7,9,12H,8H2,1-4H3
InChIKeyHEISCSQLQSNFPG-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 103898870
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
2-methyl-2-morpholin-4-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091009
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 115895627
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
CID 66046894

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine (CID 62090002) is 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine is CC(NCC(C)(C)C)c1ccsc1.
What is the InChIKey of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is HEISCSQLQSNFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-9(10-5-6-13-7-10)12-8-11(2,3)4/h5-7,9,12H,8H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 62090002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).