N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine

C19H21NS — CID 141116798

IUPACN,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine
SMILESCN(C)CCC(c1ccsc1)c1cccc2ccccc12
InChIInChI=1S/C19H21NS/c1-20(2)12-10-18(16-11-13-21-14-16)19-9-5-7-15-6-3-4-8-17(15)19/h3-9,11,13-14,18H,10,12H2,1-2H3
InChIKeyXDZISUMJPLUOOG-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.98
Rot. Bonds5

About N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine

N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine (PubChem CID 141116798) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine
PubChem CID141116798
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine
SMILESCN(C)CCC(c1ccsc1)c1cccc2ccccc12
InChIInChI=1S/C19H21NS/c1-20(2)12-10-18(16-11-13-21-14-16)19-9-5-7-15-6-3-4-8-17(15)19/h3-9,11,13-14,18H,10,12H2,1-2H3
InChIKeyXDZISUMJPLUOOG-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine (CID 141116798) is N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine is CN(C)CCC(c1ccsc1)c1cccc2ccccc12.
What is the InChIKey of N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is XDZISUMJPLUOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-20(2)12-10-18(16-11-13-21-14-16)19-9-5-7-15-6-3-4-8-17(15)19/h3-9,11,13-14,18H,10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine?
N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-naphthalen-1-yl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 141116798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).