N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine

C13H21NS — CID 114748939

IUPACN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2c1C(C)(C)CC2
InChIInChI=1S/C13H21NS/c1-9(2)14-7-10-8-15-11-5-6-13(3,4)12(10)11/h8-9,14H,5-7H2,1-4H3
InChIKeyGJQGYWXGYPBJHY-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.47
Rot. Bonds3

About N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine

N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine (PubChem CID 114748939) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine
PubChem CID114748939
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2c1C(C)(C)CC2
InChIInChI=1S/C13H21NS/c1-9(2)14-7-10-8-15-11-5-6-13(3,4)12(10)11/h8-9,14H,5-7H2,1-4H3
InChIKeyGJQGYWXGYPBJHY-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine (CID 114748939) is N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine is CC(C)NCc1csc2c1C(C)(C)CC2.
What is the InChIKey of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine?
The InChIKey is GJQGYWXGYPBJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9(2)14-7-10-8-15-11-5-6-13(3,4)12(10)11/h8-9,14H,5-7H2,1-4H3.
What are the key properties of N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine?
N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyl-5,6-dihydrocyclopenta[b]thiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 114748939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).