2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline

C29H42N2 — CID 101126796

IUPAC2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline
SMILESCCCc1cccc(C(C)C)c1/N=C(C)/C=C(/C)Nc1c(CCC)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-9-13-24-15-11-17-26(20(3)4)28(24)30-22(7)19-23(8)31-29-25(14-10-2)16-12-18-27(29)21(5)6/h11-12,15-21,30H,9-10,13-14H2,1-8H3/b22-19-,31-23+
InChIKeyWISFOTPALNREAB-MWXKIHILSA-N
MW418.67 g/mol
LogP8.95
Rot. Bonds10

About 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline

2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline (PubChem CID 101126796) has the molecular formula C29H42N2 and a molecular weight of 418.67 g/mol. Its IUPAC name is 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline.

Molecular Properties

Compound Name2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline
PubChem CID101126796
Molecular FormulaC29H42N2
Molecular Weight418.67 g/mol
Exact Mass418.33
IUPAC Name2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline
SMILESCCCc1cccc(C(C)C)c1/N=C(C)/C=C(/C)Nc1c(CCC)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-9-13-24-15-11-17-26(20(3)4)28(24)30-22(7)19-23(8)31-29-25(14-10-2)16-12-18-27(29)21(5)6/h11-12,15-21,30H,9-10,13-14H2,1-8H3/b22-19-,31-23+
InChIKeyWISFOTPALNREAB-MWXKIHILSA-N
XLogP8.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 58.95
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-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-propan-2-yl-6-propylphenyl)methanediimine
CID 141391254
bis((Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-olate);titanium(4+);sulfide
CID 139130538
CID 139137651
CID 139137651
2,4-ditert-butyl-6-[[(E)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]amino]phenol
CID 139158905
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
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139113697
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
CID 139180324
N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
CID 20771836

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline?
The IUPAC name of 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline (CID 101126796) is 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline.
What is the SMILES notation for 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline?
The canonical SMILES for 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline is CCCc1cccc(C(C)C)c1/N=C(C)/C=C(/C)Nc1c(CCC)cccc1C(C)C.
What is the InChIKey of 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline?
The InChIKey is WISFOTPALNREAB-MWXKIHILSA-N. The full InChI is InChI=1S/C29H42N2/c1-9-13-24-15-11-17-26(20(3)4)28(24)30-22(7)19-23(8)31-29-25(14-10-2)16-12-18-27(29)21(5)6/h11-12,15-21,30H,9-10,13-14H2,1-8H3/b22-19-,31-23+.
What are the key properties of 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline?
2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline has a molecular weight of 418.67 g/mol, XLogP of 8.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline is sourced from PubChem (CID 101126796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).