N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine

C16H25NS — CID 115778778

IUPACN-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCCC2)C1CCCC1
InChIInChI=1S/C16H25NS/c1-2-17-16(12-7-3-4-8-12)15-11-13-9-5-6-10-14(13)18-15/h11-12,16-17H,2-10H2,1H3
InChIKeySGSNVAXZVIKUTI-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.47
Rot. Bonds4

About N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine

N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine (PubChem CID 115778778) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
PubChem CID115778778
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCCC2)C1CCCC1
InChIInChI=1S/C16H25NS/c1-2-17-16(12-7-3-4-8-12)15-11-13-9-5-6-10-14(13)18-15/h11-12,16-17H,2-10H2,1H3
InChIKeySGSNVAXZVIKUTI-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxolan-3-yl)methyl]ethanamine
CID 115856695
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120
[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105340045
1-cyclobutyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049312
1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 104990968
[(4-ethylcyclohexyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105312997
1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115862831
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862567
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(oxan-4-yl)methyl]ethanamine
CID 115856026

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine (CID 115778778) is N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine is CCNC(c1cc2c(s1)CCCC2)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine?
The InChIKey is SGSNVAXZVIKUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-17-16(12-7-3-4-8-12)15-11-13-9-5-6-10-14(13)18-15/h11-12,16-17H,2-10H2,1H3.
What are the key properties of N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine?
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115778778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).