N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline

C29H42N2 — CID 139113697

IUPACN-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
SMILESC=C(C/C(C)=N/c1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21,30H,9,17H2,1-8,10H3/b31-23+
InChIKeyVXZXTSUHRZZZLI-UQRQXUALSA-N
MW418.67 g/mol
LogP9.29
Rot. Bonds9

About N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline

N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline (PubChem CID 139113697) has the molecular formula C29H42N2 and a molecular weight of 418.67 g/mol. Its IUPAC name is N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
PubChem CID139113697
Molecular FormulaC29H42N2
Molecular Weight418.67 g/mol
Exact Mass418.33
IUPAC NameN-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
SMILESC=C(C/C(C)=N/c1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21,30H,9,17H2,1-8,10H3/b31-23+
InChIKeyVXZXTSUHRZZZLI-UQRQXUALSA-N
XLogP9.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 59.29
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

N-[(E)-3-chloro-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139133966
3-[2,6-di(propan-2-yl)anilino]-3-[2,6-di(propan-2-yl)phenyl]imino-2-methylpropanoic acid
CID 91068958
N-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
CID 20771836
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
CID 72959562
N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline
CID 102088416
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
[2,6-di(propan-2-yl)phenyl]-[3-[2,6-di(propan-2-yl)phenyl]iminobut-1-en-2-yl]azanide
CID 23523221
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[(Z)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 12074470

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline (CID 139113697) is N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline is C=C(C/C(C)=N/c1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline?
The InChIKey is VXZXTSUHRZZZLI-UQRQXUALSA-N. The full InChI is InChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21,30H,9,17H2,1-8,10H3/b31-23+.
What are the key properties of N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline?
N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline has a molecular weight of 418.67 g/mol, XLogP of 9.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 139113697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).