7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C14H20N2O — CID 15379738

IUPAC7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCCCNC1CCc2cccc(C(N)=O)c2C1
InChIInChI=1S/C14H20N2O/c1-2-8-16-11-7-6-10-4-3-5-12(14(15)17)13(10)9-11/h3-5,11,16H,2,6-9H2,1H3,(H2,15,17)
InChIKeyVVHCHQJSNVKEPB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.64
Rot. Bonds4

About 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 15379738) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID15379738
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCCCNC1CCc2cccc(C(N)=O)c2C1
InChIInChI=1S/C14H20N2O/c1-2-8-16-11-7-6-10-4-3-5-12(14(15)17)13(10)9-11/h3-5,11,16H,2,6-9H2,1H3,(H2,15,17)
InChIKeyVVHCHQJSNVKEPB-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 15379738) is 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is CCCNC1CCc2cccc(C(N)=O)c2C1.
What is the InChIKey of 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is VVHCHQJSNVKEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-8-16-11-7-6-10-4-3-5-12(14(15)17)13(10)9-11/h3-5,11,16H,2,6-9H2,1H3,(H2,15,17).
What are the key properties of 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 15379738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).