N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine

C30H33N3 — CID 70841410

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
SMILESCCc1ccc(N(/N=C\c2ccc(N(CC)CC)cc2)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C30H33N3/c1-5-25-16-21-30(29-11-9-8-10-28(25)29)33(27-17-12-23(4)13-18-27)31-22-24-14-19-26(20-15-24)32(6-2)7-3/h8-22H,5-7H2,1-4H3/b31-22-
InChIKeyNVQJNZPABMJNIT-VAMRJTSQSA-N
MW435.62 g/mol
LogP7.73
Rot. Bonds8

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine (PubChem CID 70841410) has the molecular formula C30H33N3 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
PubChem CID70841410
Molecular FormulaC30H33N3
Molecular Weight435.62 g/mol
Exact Mass435.27
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
SMILESCCc1ccc(N(/N=C\c2ccc(N(CC)CC)cc2)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C30H33N3/c1-5-25-16-21-30(29-11-9-8-10-28(25)29)33(27-17-12-23(4)13-18-27)31-22-24-14-19-26(20-15-24)32(6-2)7-3/h8-22H,5-7H2,1-4H3/b31-22-
InChIKeyNVQJNZPABMJNIT-VAMRJTSQSA-N
XLogP7.73
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 57.73
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-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine (CID 70841410) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine is CCc1ccc(N(/N=C\c2ccc(N(CC)CC)cc2)c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
The InChIKey is NVQJNZPABMJNIT-VAMRJTSQSA-N. The full InChI is InChI=1S/C30H33N3/c1-5-25-16-21-30(29-11-9-8-10-28(25)29)33(27-17-12-23(4)13-18-27)31-22-24-14-19-26(20-15-24)32(6-2)7-3/h8-22H,5-7H2,1-4H3/b31-22-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine has a molecular weight of 435.62 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 70841410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).