4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine

C24H34N4 — CID 163561023

About 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine

4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine (PubChem CID 163561023) has the molecular formula C24H34N4 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine.

Molecular Properties

• Compound Name: 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine
• PubChem CID: 163561023
• Molecular Formula: C24H34N4
• Molecular Weight: 378.56 g/mol
• Exact Mass: 378.28
• IUPAC Name: 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine
• SMILES: CCC1=C/C(=N/C2=C(NC3=CCC(C)C=C3)CC(N)C(C)=CC2)C(C)C=C1N
• InChI: InChI=1S/C24H34N4/c1-5-18-13-23(17(4)12-21(18)26)28-22-11-8-16(3)20(25)14-24(22)27-19-9-6-15(2)7-10-19/h6,8-10,12-13,15,17,20,27H,5,7,11,14,25-26H2,1-4H3/b28-23-
• InChIKey: FRFPGAKCMUFMCP-NFFVHWSESA-N
• XLogP: 4.60
• TPSA: 76.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.56
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine?

The IUPAC name of 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine (CID 163561023) is 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine.

What is the SMILES notation for 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine?

The canonical SMILES for 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine is CCC1=C/C(=N/C2=C(NC3=CCC(C)C=C3)CC(N)C(C)=CC2)C(C)C=C1N.

What is the InChIKey of 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine?

The InChIKey is FRFPGAKCMUFMCP-NFFVHWSESA-N. The full InChI is InChI=1S/C24H34N4/c1-5-18-13-23(17(4)12-21(18)26)28-22-11-8-16(3)20(25)14-24(22)27-19-9-6-15(2)7-10-19/h6,8-10,12-13,15,17,20,27H,5,7,11,14,25-26H2,1-4H3/b28-23-.

What are the key properties of 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine?

4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine has a molecular weight of 378.56 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-amino-3-ethyl-6-methylcyclohexa-2,4-dien-1-ylidene)amino]-7-methyl-3-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohepta-3,6-diene-1,3-diamine is sourced from PubChem (CID 163561023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).