1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine

C32H38N4 — CID 139160848

IUPAC1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
SMILESCC(=C/C(C)=N/c1c(C)cccc1C)Nc1ccc(NC(C)=C/C(C)=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C32H38N4/c1-21-11-9-12-22(2)31(21)35-27(7)19-25(5)33-29-15-17-30(18-16-29)34-26(6)20-28(8)36-32-23(3)13-10-14-24(32)4/h9-20,33-34H,1-8H3/b25-19?,26-20?,35-27+,36-28+
InChIKeyVAEFYCXVMASEKF-ALBWOIIBSA-N
MW478.68 g/mol
LogP9.14
Rot. Bonds8

About 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine

1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine (PubChem CID 139160848) has the molecular formula C32H38N4 and a molecular weight of 478.68 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
PubChem CID139160848
Molecular FormulaC32H38N4
Molecular Weight478.68 g/mol
Exact Mass478.31
IUPAC Name1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
SMILESCC(=C/C(C)=N/c1c(C)cccc1C)Nc1ccc(NC(C)=C/C(C)=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C32H38N4/c1-21-11-9-12-22(2)31(21)35-27(7)19-25(5)33-29-15-17-30(18-16-29)34-26(6)20-28(8)36-32-23(3)13-10-14-24(32)4/h9-20,33-34H,1-8H3/b25-19?,26-20?,35-27+,36-28+
InChIKeyVAEFYCXVMASEKF-ALBWOIIBSA-N
XLogP9.14
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 59.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
CID 144792170
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine
CID 175260191
2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
CID 23578391
2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile
CID 139109827
N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline
CID 177423131
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
(Z)-4-[4-[[(Z)-4-oxopent-2-en-2-yl]amino]anilino]pent-3-en-2-one
CID 7707922
methyl N'-(2,6-dimethylphenyl)-N-[[N-(2,6-dimethylphenyl)-C-methylsulfanylcarbonimidoyl]amino]carbamimidothioate
CID 137436477

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine (CID 139160848) is 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine is CC(=C/C(C)=N/c1c(C)cccc1C)Nc1ccc(NC(C)=C/C(C)=N/c2c(C)cccc2C)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine?
The InChIKey is VAEFYCXVMASEKF-ALBWOIIBSA-N. The full InChI is InChI=1S/C32H38N4/c1-21-11-9-12-22(2)31(21)35-27(7)19-25(5)33-29-15-17-30(18-16-29)34-26(6)20-28(8)36-32-23(3)13-10-14-24(32)4/h9-20,33-34H,1-8H3/b25-19?,26-20?,35-27+,36-28+.
What are the key properties of 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine?
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine has a molecular weight of 478.68 g/mol, XLogP of 9.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 139160848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).