14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile

C26H36N2O — CID 11372781

IUPAC14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
SMILESCN(C)c1ccc2cc(C(=O)CCCCCCCCCCCCC#N)ccc2c1
InChIInChI=1S/C26H36N2O/c1-28(2)25-18-17-22-20-24(16-15-23(22)21-25)26(29)14-12-10-8-6-4-3-5-7-9-11-13-19-27/h15-18,20-21H,3-14H2,1-2H3
InChIKeyFDWOANJBSARGQU-UHFFFAOYSA-N
MW392.59 g/mol
LogP7.29
Rot. Bonds14

About 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile

14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile (PubChem CID 11372781) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile.

Molecular Properties

Compound Name14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
PubChem CID11372781
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
SMILESCN(C)c1ccc2cc(C(=O)CCCCCCCCCCCCC#N)ccc2c1
InChIInChI=1S/C26H36N2O/c1-28(2)25-18-17-22-20-24(16-15-23(22)21-25)26(29)14-12-10-8-6-4-3-5-7-9-11-13-19-27/h15-18,20-21H,3-14H2,1-2H3
InChIKeyFDWOANJBSARGQU-UHFFFAOYSA-N
XLogP7.29
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Mls002703342
CID 262649
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(4-Dimethylamino-naphthalen-1-yl)-(4-dimethylamino-phenyl)-methanone
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4-(4-cyanophenyl)-N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
CID 21939940
(2E)-2-[[4-(Dimethylamino)phenyl]methylene]-3,4-dihydro-1(2H)-naphthalenone
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Apomorphine o-quinone
CID 10015619
3-[4-(Dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one
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4-Dimethylamino-1-naphthaldehyde
CID 608052
Acrylodan
CID 104901
1-(6-(Dimethylamino)-2-naphthalenyl)-1-propanone
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CID 685108

Frequently Asked Questions

What is the IUPAC name of 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile?
The IUPAC name of 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile (CID 11372781) is 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile.
What is the SMILES notation for 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile?
The canonical SMILES for 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile is CN(C)c1ccc2cc(C(=O)CCCCCCCCCCCCC#N)ccc2c1.
What is the InChIKey of 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile?
The InChIKey is FDWOANJBSARGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-28(2)25-18-17-22-20-24(16-15-23(22)21-25)26(29)14-12-10-8-6-4-3-5-7-9-11-13-19-27/h15-18,20-21H,3-14H2,1-2H3.
What are the key properties of 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile?
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile has a molecular weight of 392.59 g/mol, XLogP of 7.29, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile is sourced from PubChem (CID 11372781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).