N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline

C31H41N3 — CID 153324476

IUPACN,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline
SMILESCc1cc(N(C)C)cc(C)c1/N=C/c1cccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1
InChIInChI=1S/C31H41N3/c1-19(2)24-16-27(20(3)4)30(28(17-24)21(5)6)29-13-11-12-25(33-29)18-32-31-22(7)14-26(34(9)10)15-23(31)8/h11-21H,1-10H3/b32-18+
InChIKeyLOJJHAIUDQDBCT-KCSSXMTESA-N
MW455.69 g/mol
LogP8.55
Rot. Bonds7

About N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline

N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline (PubChem CID 153324476) has the molecular formula C31H41N3 and a molecular weight of 455.69 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline
PubChem CID153324476
Molecular FormulaC31H41N3
Molecular Weight455.69 g/mol
Exact Mass455.33
IUPAC NameN,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline
SMILESCc1cc(N(C)C)cc(C)c1/N=C/c1cccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1
InChIInChI=1S/C31H41N3/c1-19(2)24-16-27(20(3)4)30(28(17-24)21(5)6)29-13-11-12-25(33-29)18-32-31-22(7)14-26(34(9)10)15-23(31)8/h11-21H,1-10H3/b32-18+
InChIKeyLOJJHAIUDQDBCT-KCSSXMTESA-N
XLogP8.55
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.69
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methanimine
CID 153324443
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 12070562
dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-(6-phenyl-2-pyridinyl)methanimine
CID 59444818
2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
CID 136726129
tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)
CID 139108580
N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline
CID 66799583
N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 90442397
tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 158989069
N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
CID 90421461
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173243069

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline?
The IUPAC name of N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline (CID 153324476) is N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline.
What is the SMILES notation for N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline?
The canonical SMILES for N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline is Cc1cc(N(C)C)cc(C)c1/N=C/c1cccc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1.
What is the InChIKey of N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline?
The InChIKey is LOJJHAIUDQDBCT-KCSSXMTESA-N. The full InChI is InChI=1S/C31H41N3/c1-19(2)24-16-27(20(3)4)30(28(17-24)21(5)6)29-13-11-12-25(33-29)18-32-31-22(7)14-26(34(9)10)15-23(31)8/h11-21H,1-10H3/b32-18+.
What are the key properties of N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline?
N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline has a molecular weight of 455.69 g/mol, XLogP of 8.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-4-[[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]methylideneamino]aniline is sourced from PubChem (CID 153324476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).