4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline

C28H36N4 — CID 159832682

IUPAC4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline
SMILESCC1(N)C=CC(=C2C=CC(C)(N)C=C2)C=C1.Cc1cc(C2=CCC(C)(N)C=C2)ccc1N
InChIInChI=1S/2C14H18N2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12;1-10-9-12(3-4-13(10)15)11-5-7-14(2,16)8-6-11/h3-10H,15-16H2,1-2H3;3-7,9H,8,15-16H2,1-2H3/b12-11-;
InChIKeyNNQSSDNAGDKIMJ-AFEZEDKISA-N
MW428.62 g/mol
LogP4.61
Rot. Bonds1

About 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline

4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline (PubChem CID 159832682) has the molecular formula C28H36N4 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline
PubChem CID159832682
Molecular FormulaC28H36N4
Molecular Weight428.62 g/mol
Exact Mass428.29
IUPAC Name4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline
SMILESCC1(N)C=CC(=C2C=CC(C)(N)C=C2)C=C1.Cc1cc(C2=CCC(C)(N)C=C2)ccc1N
InChIInChI=1S/2C14H18N2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12;1-10-9-12(3-4-13(10)15)11-5-7-14(2,16)8-6-11/h3-10H,15-16H2,1-2H3;3-7,9H,8,15-16H2,1-2H3/b12-11-;
InChIKeyNNQSSDNAGDKIMJ-AFEZEDKISA-N
XLogP4.61
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline 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 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline?
The IUPAC name of 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline (CID 159832682) is 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline.
What is the SMILES notation for 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline?
The canonical SMILES for 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline is CC1(N)C=CC(=C2C=CC(C)(N)C=C2)C=C1.Cc1cc(C2=CCC(C)(N)C=C2)ccc1N.
What is the InChIKey of 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline?
The InChIKey is NNQSSDNAGDKIMJ-AFEZEDKISA-N. The full InChI is InChI=1S/2C14H18N2/c1-13(15)7-3-11(4-8-13)12-5-9-14(2,16)10-6-12;1-10-9-12(3-4-13(10)15)11-5-7-14(2,16)8-6-11/h3-10H,15-16H2,1-2H3;3-7,9H,8,15-16H2,1-2H3/b12-11-;.
What are the key properties of 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline?
4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline has a molecular weight of 428.62 g/mol, XLogP of 4.61, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylcyclohexa-2,5-dien-1-ylidene)-1-methylcyclohexa-2,5-dien-1-amine;4-(4-amino-4-methylcyclohexa-1,5-dien-1-yl)-2-methylaniline is sourced from PubChem (CID 159832682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).