2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride

C17H24ClNS — CID 45264133

IUPAC2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1cccc2ccsc12.Cl
InChIInChI=1S/C17H23NS.ClH/c1-3-9-18(10-4-2)16-12-15(16)14-7-5-6-13-8-11-19-17(13)14;/h5-8,11,15-16H,3-4,9-10,12H2,1-2H3;1H
InChIKeyOBYBIFGCASBSHJ-UHFFFAOYSA-N
MW309.91 g/mol
LogP5.30
Rot. Bonds6

About 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride

2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride (PubChem CID 45264133) has the molecular formula C17H24ClNS and a molecular weight of 309.91 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
PubChem CID45264133
Molecular FormulaC17H24ClNS
Molecular Weight309.91 g/mol
Exact Mass309.13
IUPAC Name2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1cccc2ccsc12.Cl
InChIInChI=1S/C17H23NS.ClH/c1-3-9-18(10-4-2)16-12-15(16)14-7-5-6-13-8-11-19-17(13)14;/h5-8,11,15-16H,3-4,9-10,12H2,1-2H3;1H
InChIKeyOBYBIFGCASBSHJ-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.91
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride (CID 45264133) is 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride is CCCN(CCC)C1CC1c1cccc2ccsc12.Cl.
What is the InChIKey of 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The InChIKey is OBYBIFGCASBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS.ClH/c1-3-9-18(10-4-2)16-12-15(16)14-7-5-6-13-8-11-19-17(13)14;/h5-8,11,15-16H,3-4,9-10,12H2,1-2H3;1H.
What are the key properties of 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride has a molecular weight of 309.91 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45264133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).