2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile

C21H22N2 — CID 144927747

IUPAC2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile
SMILESCCN(CC)c1ccc2cc(C3=C(C#N)CCC=C3)ccc2c1
InChIInChI=1S/C21H22N2/c1-3-23(4-2)20-12-11-16-13-18(10-9-17(16)14-20)21-8-6-5-7-19(21)15-22/h6,8-14H,3-5,7H2,1-2H3
InChIKeyFFNZUPLCEJCBQV-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.31
Rot. Bonds4

About 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile

2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 144927747) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile
PubChem CID144927747
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile
SMILESCCN(CC)c1ccc2cc(C3=C(C#N)CCC=C3)ccc2c1
InChIInChI=1S/C21H22N2/c1-3-23(4-2)20-12-11-16-13-18(10-9-17(16)14-20)21-8-6-5-7-19(21)15-22/h6,8-14H,3-5,7H2,1-2H3
InChIKeyFFNZUPLCEJCBQV-UHFFFAOYSA-N
XLogP5.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile (CID 144927747) is 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile is CCN(CC)c1ccc2cc(C3=C(C#N)CCC=C3)ccc2c1.
What is the InChIKey of 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is FFNZUPLCEJCBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-3-23(4-2)20-12-11-16-13-18(10-9-17(16)14-20)21-8-6-5-7-19(21)15-22/h6,8-14H,3-5,7H2,1-2H3.
What are the key properties of 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile?
2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 302.42 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylamino)naphthalen-2-yl]cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 144927747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).