N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine

C18H25NS — CID 81033729

IUPACN-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1Cc1csc2ccccc12
InChIInChI=1S/C18H25NS/c1-13(2)19-11-15-7-5-6-14(15)10-16-12-20-18-9-4-3-8-17(16)18/h3-4,8-9,12-15,19H,5-7,10-11H2,1-2H3
InChIKeyQSSOUVVQRITCDX-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.86
Rot. Bonds5

About N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine

N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81033729) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81033729
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1Cc1csc2ccccc12
InChIInChI=1S/C18H25NS/c1-13(2)19-11-15-7-5-6-14(15)10-16-12-20-18-9-4-3-8-17(16)18/h3-4,8-9,12-15,19H,5-7,10-11H2,1-2H3
InChIKeyQSSOUVVQRITCDX-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241
2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63737915
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol
CID 64516278
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64907706

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine (CID 81033729) is N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1CCCC1Cc1csc2ccccc12.
What is the InChIKey of N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is QSSOUVVQRITCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-13(2)19-11-15-7-5-6-14(15)10-16-12-20-18-9-4-3-8-17(16)18/h3-4,8-9,12-15,19H,5-7,10-11H2,1-2H3.
What are the key properties of N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 287.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81033729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).