1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine

C25H25N3 — CID 122223630

IUPAC1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine
SMILES[H]/N=C(/c1ccc2cccc(N(C)C)c2c1N(C)C)c1cccc2ccccc12
InChIInChI=1S/C25H25N3/c1-27(2)22-14-8-11-18-15-16-21(25(23(18)22)28(3)4)24(26)20-13-7-10-17-9-5-6-12-19(17)20/h5-16,26H,1-4H3/b26-24+
InChIKeyJBTBVFAEQUIDMD-SHHOIMCASA-N
MW367.50 g/mol
LogP5.54
Rot. Bonds4

About 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine

1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine (PubChem CID 122223630) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine.

Molecular Properties

Compound Name1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine
PubChem CID122223630
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine
SMILES[H]/N=C(/c1ccc2cccc(N(C)C)c2c1N(C)C)c1cccc2ccccc12
InChIInChI=1S/C25H25N3/c1-27(2)22-14-8-11-18-15-16-21(25(23(18)22)28(3)4)24(26)20-13-7-10-17-9-5-6-12-19(17)20/h5-16,26H,1-4H3/b26-24+
InChIKeyJBTBVFAEQUIDMD-SHHOIMCASA-N
XLogP5.54
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine?
The IUPAC name of 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine (CID 122223630) is 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine.
What is the SMILES notation for 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine?
The canonical SMILES for 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine is [H]/N=C(/c1ccc2cccc(N(C)C)c2c1N(C)C)c1cccc2ccccc12.
What is the InChIKey of 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine?
The InChIKey is JBTBVFAEQUIDMD-SHHOIMCASA-N. The full InChI is InChI=1S/C25H25N3/c1-27(2)22-14-8-11-18-15-16-21(25(23(18)22)28(3)4)24(26)20-13-7-10-17-9-5-6-12-19(17)20/h5-16,26H,1-4H3/b26-24+.
What are the key properties of 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine?
1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine has a molecular weight of 367.50 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,8-N,8-N-tetramethyl-2-(naphthalene-1-carboximidoyl)naphthalene-1,8-diamine is sourced from PubChem (CID 122223630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).