(Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine

C21H28N2 — CID 139112256

IUPAC(Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine
SMILESCc1cc(C)c(N/C=C\N(C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H28N2/c1-14-10-16(3)20(17(4)11-14)22-8-9-23(7)21-18(5)12-15(2)13-19(21)6/h8-13,22H,1-7H3/b9-8-
InChIKeyUVLVYAJJFRQQGE-HJWRWDBZSA-N
MW308.47 g/mol
LogP5.56
Rot. Bonds4

About (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine

(Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine (PubChem CID 139112256) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine
PubChem CID139112256
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name(Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine
SMILESCc1cc(C)c(N/C=C\N(C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H28N2/c1-14-10-16(3)20(17(4)11-14)22-8-9-23(7)21-18(5)12-15(2)13-19(21)6/h8-13,22H,1-7H3/b9-8-
InChIKeyUVLVYAJJFRQQGE-HJWRWDBZSA-N
XLogP5.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine?
The IUPAC name of (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine (CID 139112256) is (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine is Cc1cc(C)c(N/C=C\N(C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine?
The InChIKey is UVLVYAJJFRQQGE-HJWRWDBZSA-N. The full InChI is InChI=1S/C21H28N2/c1-14-10-16(3)20(17(4)11-14)22-8-9-23(7)21-18(5)12-15(2)13-19(21)6/h8-13,22H,1-7H3/b9-8-.
What are the key properties of (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine?
(Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine has a molecular weight of 308.47 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-N,N'-bis(2,4,6-trimethylphenyl)ethene-1,2-diamine is sourced from PubChem (CID 139112256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).