2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine

C17H29NS — CID 65304602

IUPAC2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCC1(CCc2cccs2)CCCC1
InChIInChI=1S/C17H29NS/c1-16(2,3)18-13-12-17(9-4-5-10-17)11-8-15-7-6-14-19-15/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyILQWIOVIXKXVLG-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.02
Rot. Bonds6

About 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine

2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine (PubChem CID 65304602) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
PubChem CID65304602
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCC1(CCc2cccs2)CCCC1
InChIInChI=1S/C17H29NS/c1-16(2,3)18-13-12-17(9-4-5-10-17)11-8-15-7-6-14-19-15/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyILQWIOVIXKXVLG-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
CID 65194455
N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
CID 113410415
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
ethyl 2-[1-(2-thiophen-2-ylethyl)cyclopentyl]acetate
CID 10778190
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111766480
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63217965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine (CID 65304602) is 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine is CC(C)(C)NCCC1(CCc2cccs2)CCCC1.
What is the InChIKey of 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine?
The InChIKey is ILQWIOVIXKXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-16(2,3)18-13-12-17(9-4-5-10-17)11-8-15-7-6-14-19-15/h6-7,14,18H,4-5,8-13H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine?
2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine has a molecular weight of 279.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine is sourced from PubChem (CID 65304602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).