2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine

C17H29NS — CID 112569956

IUPAC2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(CC)s1)C1CCCC1
InChIInChI=1S/C17H29NS/c1-3-11-18-13-15(14-7-5-6-8-14)12-17-10-9-16(4-2)19-17/h9-10,14-15,18H,3-8,11-13H2,1-2H3
InChIKeyTZYKKJFQTNLRNR-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.66
Rot. Bonds8

About 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine

2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 112569956) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
PubChem CID112569956
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(CC)s1)C1CCCC1
InChIInChI=1S/C17H29NS/c1-3-11-18-13-15(14-7-5-6-8-14)12-17-10-9-16(4-2)19-17/h9-10,14-15,18H,3-8,11-13H2,1-2H3
InChIKeyTZYKKJFQTNLRNR-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842387
2-cyclopentyl-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323935
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine (CID 112569956) is 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine is CCCNCC(Cc1ccc(CC)s1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is TZYKKJFQTNLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-3-11-18-13-15(14-7-5-6-8-14)12-17-10-9-16(4-2)19-17/h9-10,14-15,18H,3-8,11-13H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine?
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 112569956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).