1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine

C29H35N3 — CID 141216840

IUPAC1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cccc1C(C)C)c1cccnc1/C(C)=N/c1c(C)cccc1C(C)C
InChIInChI=1S/C29H35N3/c1-18(2)24-14-9-12-20(5)27(24)31-22(7)26-16-11-17-30-29(26)23(8)32-28-21(6)13-10-15-25(28)19(3)4/h9-19H,1-8H3/b31-22+,32-23+
InChIKeyUNUCMMAVWXVSGJ-FEBMMXQDSA-N
MW425.62 g/mol
LogP8.23
Rot. Bonds6

About 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine

1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine (PubChem CID 141216840) has the molecular formula C29H35N3 and a molecular weight of 425.62 g/mol. Its IUPAC name is 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine.

Molecular Properties

Compound Name1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
PubChem CID141216840
Molecular FormulaC29H35N3
Molecular Weight425.62 g/mol
Exact Mass425.28
IUPAC Name1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cccc1C(C)C)c1cccnc1/C(C)=N/c1c(C)cccc1C(C)C
InChIInChI=1S/C29H35N3/c1-18(2)24-14-9-12-20(5)27(24)31-22(7)26-16-11-17-30-29(26)23(8)32-28-21(6)13-10-15-25(28)19(3)4/h9-19H,1-8H3/b31-22+,32-23+
InChIKeyUNUCMMAVWXVSGJ-FEBMMXQDSA-N
XLogP8.23
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 58.23
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

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
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
N-[2,5-di(propan-2-yl)phenyl]-1-(3-methyl-2-pyridinyl)ethanimine
CID 130430870
N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
CID 20639667
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2-methoxy-6-methylphenyl)ethanimine
CID 102457865
cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride
CID 173243944
N-(2-chloro-6-methylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 161432910
N-[2,6-di(propan-2-yl)phenyl]-1-(3-pyridin-2-ylphenyl)ethanimine
CID 58238596
azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514
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-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131
dichloroiron;N-[2,6-di(propan-2-yl)phenyl]-1-[4-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,3,5-triazin-2-yl]ethanimine
CID 140654190

Frequently Asked Questions

What is the IUPAC name of 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
The IUPAC name of 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine (CID 141216840) is 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine.
What is the SMILES notation for 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
The canonical SMILES for 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine is C/C(=N\c1c(C)cccc1C(C)C)c1cccnc1/C(C)=N/c1c(C)cccc1C(C)C.
What is the InChIKey of 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
The InChIKey is UNUCMMAVWXVSGJ-FEBMMXQDSA-N. The full InChI is InChI=1S/C29H35N3/c1-18(2)24-14-9-12-20(5)27(24)31-22(7)26-16-11-17-30-29(26)23(8)32-28-21(6)13-10-15-25(28)19(3)4/h9-19H,1-8H3/b31-22+,32-23+.
What are the key properties of 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine?
1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine has a molecular weight of 425.62 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-3-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)ethanimine is sourced from PubChem (CID 141216840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).