(2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C20H27NS — CID 10245083

IUPAC(2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2cccc(-c3cccs3)c2C1
InChIInChI=1S/C20H27NS/c1-3-12-21(13-4-2)17-11-10-16-7-5-8-18(19(16)15-17)20-9-6-14-22-20/h5-9,14,17H,3-4,10-13,15H2,1-2H3/t17-/m1/s1
InChIKeyGCKSLAITDJGWSU-QGZVFWFLSA-N
MW313.51 g/mol
LogP5.39
Rot. Bonds6

About (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10245083) has the molecular formula C20H27NS and a molecular weight of 313.51 g/mol. Its IUPAC name is (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10245083
Molecular FormulaC20H27NS
Molecular Weight313.51 g/mol
Exact Mass313.19
IUPAC Name(2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2cccc(-c3cccs3)c2C1
InChIInChI=1S/C20H27NS/c1-3-12-21(13-4-2)17-11-10-16-7-5-8-18(19(16)15-17)20-9-6-14-22-20/h5-9,14,17H,3-4,10-13,15H2,1-2H3/t17-/m1/s1
InChIKeyGCKSLAITDJGWSU-QGZVFWFLSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10245083) is (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@@H]1CCc2cccc(-c3cccs3)c2C1.
What is the InChIKey of (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is GCKSLAITDJGWSU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27NS/c1-3-12-21(13-4-2)17-11-10-16-7-5-8-18(19(16)15-17)20-9-6-14-22-20/h5-9,14,17H,3-4,10-13,15H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 313.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10245083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).