2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine

C18H29NS — CID 115847120

IUPAC2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
SMILESCCNC(CC1CCCC1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C18H29NS/c1-2-19-16(12-14-8-6-7-9-14)18-13-15-10-4-3-5-11-17(15)20-18/h13-14,16,19H,2-12H2,1H3
InChIKeyUORFTFBZUWMSPF-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.25
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine

2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine (PubChem CID 115847120) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
PubChem CID115847120
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
SMILESCCNC(CC1CCCC1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C18H29NS/c1-2-19-16(12-14-8-6-7-9-14)18-13-15-10-4-3-5-11-17(15)20-18/h13-14,16,19H,2-12H2,1H3
InChIKeyUORFTFBZUWMSPF-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine with MolForge

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Related Compounds

[2-cyclobutyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]hydrazine
CID 105309957
2-cyclopropyl-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 104986496
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylbut-3-en-1-amine
CID 115815173
N-ethyl-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexan-1-amine
CID 115845515
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
N-ethyl-3-methylsulfonyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-amine
CID 115848086
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851
N-ethyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-amine
CID 104993689
N-ethyl-4-methoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 105054975

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine (CID 115847120) is 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine is CCNC(CC1CCCC1)c1cc2c(s1)CCCCC2.
What is the InChIKey of 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
The InChIKey is UORFTFBZUWMSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-2-19-16(12-14-8-6-7-9-14)18-13-15-10-4-3-5-11-17(15)20-18/h13-14,16,19H,2-12H2,1H3.
What are the key properties of 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine?
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine has a molecular weight of 291.50 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine is sourced from PubChem (CID 115847120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).