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

C13H21NOS — CID 115717106

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1cc2c(s1)CCC2
InChIInChI=1S/C13H21NOS/c1-9(10(2)15-3)14-8-12-7-11-5-4-6-13(11)16-12/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyTZGAXBAVEAGMOO-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.75
Rot. Bonds5

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

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine (PubChem CID 115717106) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
PubChem CID115717106
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1cc2c(s1)CCC2
InChIInChI=1S/C13H21NOS/c1-9(10(2)15-3)14-8-12-7-11-5-4-6-13(11)16-12/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyTZGAXBAVEAGMOO-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)undecan-6-amine
CID 63452755
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-nitrophenyl)ethanamine
CID 61206837
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61206657
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61206850
1-(azepan-1-yl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propan-1-one
CID 61207981
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 63452368
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61207988
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63452712
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 61208351
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-phenylpropan-1-amine
CID 61207209
5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359401

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine (CID 115717106) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine is COC(C)C(C)NCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine?
The InChIKey is TZGAXBAVEAGMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(10(2)15-3)14-8-12-7-11-5-4-6-13(11)16-12/h7,9-10,14H,4-6,8H2,1-3H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.75, 5 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)-3-methoxybutan-2-amine is sourced from PubChem (CID 115717106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).