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

C14H23NS — CID 61208159

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1cc2c(s1)CCC2
InChIInChI=1S/C14H23NS/c1-4-10(2)11(3)15-9-13-8-12-6-5-7-14(12)16-13/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyANAKHGPPQLMSTD-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.76
Rot. Bonds5

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

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine (PubChem CID 61208159) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
PubChem CID61208159
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1cc2c(s1)CCC2
InChIInChI=1S/C14H23NS/c1-4-10(2)11(3)15-9-13-8-12-6-5-7-14(12)16-13/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyANAKHGPPQLMSTD-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-phenylpropan-1-amine
CID 61207209
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-ethylphenyl)propan-1-amine
CID 63452238
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61206657
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 63452368
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-nitrophenyl)ethanamine
CID 61206837
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61206850
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474
1-(azepan-1-yl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propan-1-one
CID 61207981
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

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine (CID 61208159) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine is CCC(C)C(C)NCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine?
The InChIKey is ANAKHGPPQLMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-10(2)11(3)15-9-13-8-12-6-5-7-14(12)16-13/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine is sourced from PubChem (CID 61208159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).