3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile

C24H18N2 — CID 143900645

IUPAC3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile
SMILESCNc1cc(C)c2c(C)cc(C#N)c3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C24H18N2/c1-13-10-16(12-25)22-17-8-4-6-15-7-5-9-18(21(15)17)23-19(26-3)11-14(2)20(13)24(22)23/h4-11,26H,1-3H3
InChIKeyISNTWWMSEMDUPE-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.27
Rot. Bonds1

About 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile

3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile (PubChem CID 143900645) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile.

Molecular Properties

Compound Name3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile
PubChem CID143900645
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile
SMILESCNc1cc(C)c2c(C)cc(C#N)c3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C24H18N2/c1-13-10-16(12-25)22-17-8-4-6-15-7-5-9-18(21(15)17)23-19(26-3)11-14(2)20(13)24(22)23/h4-11,26H,1-3H3
InChIKeyISNTWWMSEMDUPE-UHFFFAOYSA-N
XLogP6.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthrene-1,10-dicarbonitrile
CID 170458510
1,12-dimethylbenzo[c]phenanthrene-5,8-dicarbonitrile
CID 15360951
perylen-1-ylcyanamide
CID 57060907
bis(3,10-dimethylperylene-1,4,9-tricarbonitrile);bis(4,9-dimethylperylene-1,3,10-tricarbonitrile)
CID 159571509
5-amino-4-(methylamino)naphthalene-1-carbonitrile
CID 123962869
8-methyl-2-(methylamino)quinoline-3-carbonitrile
CID 84619490
3,4-dimethylperylene
CID 20583839
3-methyl-2-(naphthalen-1-ylamino)benzonitrile
CID 107106270
2-(methylamino)naphthalene-1-carbonitrile
CID 12758537
1-(methylamino)naphthalene-2-carbonitrile
CID 134243586
2,3-dimethylquinoline-8-carbonitrile
CID 174264832
4-bromo-2-(methylamino)benzonitrile
CID 24903089

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile?
The IUPAC name of 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile (CID 143900645) is 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile.
What is the SMILES notation for 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile?
The canonical SMILES for 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile is CNc1cc(C)c2c(C)cc(C#N)c3c4cccc5cccc(c1c23)c54.
What is the InChIKey of 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile?
The InChIKey is ISNTWWMSEMDUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-13-10-16(12-25)22-17-8-4-6-15-7-5-9-18(21(15)17)23-19(26-3)11-14(2)20(13)24(22)23/h4-11,26H,1-3H3.
What are the key properties of 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile?
3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 6.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(methylamino)perylene-1-carbonitrile is sourced from PubChem (CID 143900645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).