N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine

C16H26N2S — CID 79535684

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCc1cc2c(s1)CCC2
InChIInChI=1S/C16H26N2S/c1-12(9-14-6-2-3-8-17-14)18-11-15-10-13-5-4-7-16(13)19-15/h10,12,14,17-18H,2-9,11H2,1H3
InChIKeyMLPJGBUDDDKKOQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.25
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine (PubChem CID 79535684) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
PubChem CID79535684
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCc1cc2c(s1)CCC2
InChIInChI=1S/C16H26N2S/c1-12(9-14-6-2-3-8-17-14)18-11-15-10-13-5-4-7-16(13)19-15/h10,12,14,17-18H,2-9,11H2,1H3
InChIKeyMLPJGBUDDDKKOQ-UHFFFAOYSA-N
XLogP3.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine with MolForge

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Related Compounds

1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61207988
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61206850
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541452
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine (CID 79535684) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
The InChIKey is MLPJGBUDDDKKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(9-14-6-2-3-8-17-14)18-11-15-10-13-5-4-7-16(13)19-15/h10,12,14,17-18H,2-9,11H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79535684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).