N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine

C27H27N3 — CID 54325133

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
SMILESCCN(CC)c1ccc(C=NN(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H27N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27/h5-21H,3-4H2,1-2H3
InChIKeySUJMFQYAKKPLSH-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.86
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine

N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine (PubChem CID 54325133) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
PubChem CID54325133
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
SMILESCCN(CC)c1ccc(C=NN(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H27N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27/h5-21H,3-4H2,1-2H3
InChIKeySUJMFQYAKKPLSH-UHFFFAOYSA-N
XLogP6.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine (CID 54325133) is N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine is CCN(CC)c1ccc(C=NN(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
The InChIKey is SUJMFQYAKKPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27/h5-21H,3-4H2,1-2H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine has a molecular weight of 393.53 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 54325133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).