3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine

C17H23NS — CID 116539698

IUPAC3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cccc3ccsc23)C1
InChIInChI=1S/C17H23NS/c1-3-10-18-14-7-9-17(2,12-14)15-6-4-5-13-8-11-19-16(13)15/h4-6,8,11,14,18H,3,7,9-10,12H2,1-2H3
InChIKeyLWASPWNCIFTENT-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.71
Rot. Bonds4

About 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine

3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 116539698) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
PubChem CID116539698
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cccc3ccsc23)C1
InChIInChI=1S/C17H23NS/c1-3-10-18-14-7-9-17(2,12-14)15-6-4-5-13-8-11-19-16(13)15/h4-6,8,11,14,18H,3,7,9-10,12H2,1-2H3
InChIKeyLWASPWNCIFTENT-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
CID 102837866
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-ol
CID 81142519
1-(1-benzothiophen-7-yl)-4-propylcyclohexan-1-amine
CID 81142096
1-(1-benzothiophen-7-yl)-3-ethylcyclopentan-1-ol
CID 81142452
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine
CID 116539727
1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol
CID 81142236
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708933
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539814
1-(1-benzothiophen-7-yl)-3,3-dimethylcyclopentan-1-amine
CID 81154066
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine (CID 116539698) is 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(c2cccc3ccsc23)C1.
What is the InChIKey of 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is LWASPWNCIFTENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-10-18-14-7-9-17(2,12-14)15-6-4-5-13-8-11-19-16(13)15/h4-6,8,11,14,18H,3,7,9-10,12H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine?
3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).