7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

C17H24N2 — CID 10060986

IUPAC7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESCCCN(CCC)C1CCc2cccc(C#N)c2C1
InChIInChI=1S/C17H24N2/c1-3-10-19(11-4-2)16-9-8-14-6-5-7-15(13-18)17(14)12-16/h5-7,16H,3-4,8-12H2,1-2H3
InChIKeyLDGNEHVXBOCTNU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.54
Rot. Bonds5

About 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (PubChem CID 10060986) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
PubChem CID10060986
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESCCCN(CCC)C1CCc2cccc(C#N)c2C1
InChIInChI=1S/C17H24N2/c1-3-10-19(11-4-2)16-9-8-14-6-5-7-15(13-18)17(14)12-16/h5-7,16H,3-4,8-12H2,1-2H3
InChIKeyLDGNEHVXBOCTNU-UHFFFAOYSA-N
XLogP3.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (CID 10060986) is 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is CCCN(CCC)C1CCc2cccc(C#N)c2C1.
What is the InChIKey of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is LDGNEHVXBOCTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-10-19(11-4-2)16-9-8-14-6-5-7-15(13-18)17(14)12-16/h5-7,16H,3-4,8-12H2,1-2H3.
What are the key properties of 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 256.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 10060986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).