2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine

C22H28N4 — CID 166987269

IUPAC2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine
SMILESCC(C)=C(N/N=C(\C)c1ccc(C)cc1)N/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C22H28N4/c1-15(2)22(25-23-18(5)20-11-7-16(3)8-12-20)26-24-19(6)21-13-9-17(4)10-14-21/h7-14,25-26H,1-6H3/b23-18+,24-19+
InChIKeyVXKKJLYPKXRSKC-KBQFLUNPSA-N
MW348.49 g/mol
LogP4.88
Rot. Bonds6

About 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine

2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine (PubChem CID 166987269) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine
PubChem CID166987269
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine
SMILESCC(C)=C(N/N=C(\C)c1ccc(C)cc1)N/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C22H28N4/c1-15(2)22(25-23-18(5)20-11-7-16(3)8-12-20)26-24-19(6)21-13-9-17(4)10-14-21/h7-14,25-26H,1-6H3/b23-18+,24-19+
InChIKeyVXKKJLYPKXRSKC-KBQFLUNPSA-N
XLogP4.88
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
1-[1-(4-methylphenyl)ethylideneamino]-3-propan-2-ylthiourea
CID 3526118
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
CID 45098057
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine?
The IUPAC name of 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine (CID 166987269) is 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine.
What is the SMILES notation for 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine?
The canonical SMILES for 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine is CC(C)=C(N/N=C(\C)c1ccc(C)cc1)N/N=C(\C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine?
The InChIKey is VXKKJLYPKXRSKC-KBQFLUNPSA-N. The full InChI is InChI=1S/C22H28N4/c1-15(2)22(25-23-18(5)20-11-7-16(3)8-12-20)26-24-19(6)21-13-9-17(4)10-14-21/h7-14,25-26H,1-6H3/b23-18+,24-19+.
What are the key properties of 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine?
2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine has a molecular weight of 348.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine is sourced from PubChem (CID 166987269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).