N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine

C17H29N3S — CID 62561259

IUPACN-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCN1CCN(C2CCCC2)CC1)c1cccs1
InChIInChI=1S/C17H29N3S/c1-15(17-7-4-14-21-17)18-8-9-19-10-12-20(13-11-19)16-5-2-3-6-16/h4,7,14-16,18H,2-3,5-6,8-13H2,1H3
InChIKeyBDFPGUGJMUACMP-UHFFFAOYSA-N
MW307.51 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine

N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 62561259) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID62561259
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCN1CCN(C2CCCC2)CC1)c1cccs1
InChIInChI=1S/C17H29N3S/c1-15(17-7-4-14-21-17)18-8-9-19-10-12-20(13-11-19)16-5-2-3-6-16/h4,7,14-16,18H,2-3,5-6,8-13H2,1H3
InChIKeyBDFPGUGJMUACMP-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine
CID 62573499
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
CID 64581411
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 102746104
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62557602
N-[2-(2-methylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62576088
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692
N'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 79924900
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine (CID 62561259) is N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine is CC(NCCN1CCN(C2CCCC2)CC1)c1cccs1.
What is the InChIKey of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is BDFPGUGJMUACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-15(17-7-4-14-21-17)18-8-9-19-10-12-20(13-11-19)16-5-2-3-6-16/h4,7,14-16,18H,2-3,5-6,8-13H2,1H3.
What are the key properties of N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 307.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62561259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).