1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine

C15H25NS — CID 115856888

IUPAC1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
SMILESCCNC(CCc1ccsc1)CC1CCCC1
InChIInChI=1S/C15H25NS/c1-2-16-15(11-13-5-3-4-6-13)8-7-14-9-10-17-12-14/h9-10,12-13,15-16H,2-8,11H2,1H3
InChIKeyDLXMFKWGOVTGGC-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.24
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine

1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 115856888) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
PubChem CID115856888
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
SMILESCCNC(CCc1ccsc1)CC1CCCC1
InChIInChI=1S/C15H25NS/c1-2-16-15(11-13-5-3-4-6-13)8-7-14-9-10-17-12-14/h9-10,12-13,15-16H,2-8,11H2,1H3
InChIKeyDLXMFKWGOVTGGC-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166948
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-cyclopentyl-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105138868
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine (CID 115856888) is 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine is CCNC(CCc1ccsc1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is DLXMFKWGOVTGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-2-16-15(11-13-5-3-4-6-13)8-7-14-9-10-17-12-14/h9-10,12-13,15-16H,2-8,11H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine?
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 115856888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).