N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine

C15H25NOS — CID 54955987

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C15H25NOS/c1-12(2)6-8-17-9-7-16-11-14-10-13-4-3-5-15(13)18-14/h10,12,16H,3-9,11H2,1-2H3
InChIKeyKFWQMPKQFCELKX-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.39
Rot. Bonds8

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine (PubChem CID 54955987) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine
PubChem CID54955987
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCc1cc2c(s1)CCC2
InChIInChI=1S/C15H25NOS/c1-12(2)6-8-17-9-7-16-11-14-10-13-4-3-5-15(13)18-14/h10,12,16H,3-9,11H2,1-2H3
InChIKeyKFWQMPKQFCELKX-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4H-Cyclopenta[b]thiophene-2-methanamine, 5,6-dihydro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-
CID 54961957
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55259529
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491384
1-(2,5-dimethylthiophen-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61501488
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63829062
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 63899636
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65243768
1-(2,5-dimethylthiophen-3-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803010
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65803633
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65805834
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoroethanamine
CID 80694034
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropropan-1-amine
CID 81106933

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine (CID 54955987) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine is CC(C)CCOCCNCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine?
The InChIKey is KFWQMPKQFCELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)6-8-17-9-7-16-11-14-10-13-4-3-5-15(13)18-14/h10,12,16H,3-9,11H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 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)-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 54955987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).