1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine

C15H19NS — CID 81154066

IUPAC1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2cccc3ccsc23)C1
InChIInChI=1S/C15H19NS/c1-14(2)7-8-15(16,10-14)12-5-3-4-11-6-9-17-13(11)12/h3-6,9H,7-8,10,16H2,1-2H3
InChIKeyNVPPWWUPTLKAIW-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.27
Rot. Bonds1

About 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine

1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 81154066) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine
PubChem CID81154066
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2cccc3ccsc23)C1
InChIInChI=1S/C15H19NS/c1-14(2)7-8-15(16,10-14)12-5-3-4-11-6-9-17-13(11)12/h3-6,9H,7-8,10,16H2,1-2H3
InChIKeyNVPPWWUPTLKAIW-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine (CID 81154066) is 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(N)(c2cccc3ccsc23)C1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is NVPPWWUPTLKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-14(2)7-8-15(16,10-14)12-5-3-4-11-6-9-17-13(11)12/h3-6,9H,7-8,10,16H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine?
1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 81154066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).