1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile

C18H24N2 — CID 101357517

IUPAC1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile
SMILESCCCC1=C2CCCCC2=C(CCC)C(C#N)C1C#N
InChIInChI=1S/C18H24N2/c1-3-7-13-15-9-5-6-10-16(15)14(8-4-2)18(12-20)17(13)11-19/h17-18H,3-10H2,1-2H3
InChIKeyLDESTEDGSDEXQF-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.05
Rot. Bonds4

About 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile

1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile (PubChem CID 101357517) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile
PubChem CID101357517
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile
SMILESCCCC1=C2CCCCC2=C(CCC)C(C#N)C1C#N
InChIInChI=1S/C18H24N2/c1-3-7-13-15-9-5-6-10-16(15)14(8-4-2)18(12-20)17(13)11-19/h17-18H,3-10H2,1-2H3
InChIKeyLDESTEDGSDEXQF-UHFFFAOYSA-N
XLogP5.05
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile?
The IUPAC name of 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile (CID 101357517) is 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile is CCCC1=C2CCCCC2=C(CCC)C(C#N)C1C#N.
What is the InChIKey of 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile?
The InChIKey is LDESTEDGSDEXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-7-13-15-9-5-6-10-16(15)14(8-4-2)18(12-20)17(13)11-19/h17-18H,3-10H2,1-2H3.
What are the key properties of 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile?
1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile has a molecular weight of 268.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropyl-2,3,5,6,7,8-hexahydronaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 101357517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).