6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine

C21H24N2 — CID 143906540

IUPAC6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine
SMILESCc1ccc(NC2=CCC(C)C(Nc3ccc(C)cc3)=C2)cc1
InChIInChI=1S/C21H24N2/c1-15-4-9-18(10-5-15)22-20-13-8-17(3)21(14-20)23-19-11-6-16(2)7-12-19/h4-7,9-14,17,22-23H,8H2,1-3H3
InChIKeyMFTUWSWHORGTHS-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.64
Rot. Bonds4

About 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine

6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine (PubChem CID 143906540) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine
PubChem CID143906540
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine
SMILESCc1ccc(NC2=CCC(C)C(Nc3ccc(C)cc3)=C2)cc1
InChIInChI=1S/C21H24N2/c1-15-4-9-18(10-5-15)22-20-13-8-17(3)21(14-20)23-19-11-6-16(2)7-12-19/h4-7,9-14,17,22-23H,8H2,1-3H3
InChIKeyMFTUWSWHORGTHS-UHFFFAOYSA-N
XLogP5.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine (CID 143906540) is 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine is Cc1ccc(NC2=CCC(C)C(Nc3ccc(C)cc3)=C2)cc1.
What is the InChIKey of 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine?
The InChIKey is MFTUWSWHORGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-15-4-9-18(10-5-15)22-20-13-8-17(3)21(14-20)23-19-11-6-16(2)7-12-19/h4-7,9-14,17,22-23H,8H2,1-3H3.
What are the key properties of 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine?
6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine has a molecular weight of 304.44 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-N,3-N-bis(4-methylphenyl)cyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 143906540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).