2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline

C25H34N2 — CID 101126797

IUPAC2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
SMILESC/C(=C/C(C)=N/c1c(C)cccc1C(C)C)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C25H34N2/c1-16(2)22-13-9-11-18(5)24(22)26-20(7)15-21(8)27-25-19(6)12-10-14-23(25)17(3)4/h9-17,26H,1-8H3/b20-15-,27-21+
InChIKeyYCFSDJROEVNNOQ-LZYXZRDISA-N
MW362.56 g/mol
LogP7.66
Rot. Bonds6

About 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline

2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline (PubChem CID 101126797) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
PubChem CID101126797
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
SMILESC/C(=C/C(C)=N/c1c(C)cccc1C(C)C)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C25H34N2/c1-16(2)22-13-9-11-18(5)24(22)26-20(7)15-21(8)27-25-19(6)12-10-14-23(25)17(3)4/h9-17,26H,1-8H3/b20-15-,27-21+
InChIKeyYCFSDJROEVNNOQ-LZYXZRDISA-N
XLogP7.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline
CID 101126796
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
CID 20660934
N-[(E)-4-[(1S,2S)-2-[[(E)-4-[2,6-di(propan-2-yl)anilino]pent-3-en-2-ylidene]amino]cyclohexyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 177499645
cobalt;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
CID 87859497
bis((Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-olate);titanium(4+);sulfide
CID 139130538
2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide
CID 20660748
2,4-ditert-butyl-6-[[(E)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]amino]phenol
CID 139158905
CID 139137651
CID 139137651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline?
The IUPAC name of 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline (CID 101126797) is 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline?
The canonical SMILES for 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline is C/C(=C/C(C)=N/c1c(C)cccc1C(C)C)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline?
The InChIKey is YCFSDJROEVNNOQ-LZYXZRDISA-N. The full InChI is InChI=1S/C25H34N2/c1-16(2)22-13-9-11-18(5)24(22)26-20(7)15-21(8)27-25-19(6)12-10-14-23(25)17(3)4/h9-17,26H,1-8H3/b20-15-,27-21+.
What are the key properties of 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline?
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline has a molecular weight of 362.56 g/mol, XLogP of 7.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline is sourced from PubChem (CID 101126797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).