N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline

C23H33N3 — CID 102262356

IUPACN-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccccc1/C=N\CCN(C)C
InChIInChI=1S/C23H33N3/c1-17(2)20-11-9-12-21(18(3)4)23(20)25-22-13-8-7-10-19(22)16-24-14-15-26(5)6/h7-13,16-18,25H,14-15H2,1-6H3/b24-16-
InChIKeyUREVHVCYMFLAOF-JLPGSUDCSA-N
MW351.54 g/mol
LogP5.66
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline

N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline (PubChem CID 102262356) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
PubChem CID102262356
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC NameN-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccccc1/C=N\CCN(C)C
InChIInChI=1S/C23H33N3/c1-17(2)20-11-9-12-21(18(3)4)23(20)25-22-13-8-7-10-19(22)16-24-14-15-26(5)6/h7-13,16-18,25H,14-15H2,1-6H3/b24-16-
InChIKeyUREVHVCYMFLAOF-JLPGSUDCSA-N
XLogP5.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[[2-(2,6-dimethylanilino)phenyl]methylideneamino]ethyliminomethyl]phenyl]-2,6-dimethylaniline
CID 102518992
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
CID 87946949
N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 11286257
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
N-(2-methylphosphanylphenyl)-2,6-di(propan-2-yl)aniline
CID 58961695
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline
CID 101467698
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine
CID 141233352
chloroplatinum(1+);N,N-dimethyl-2-[[2-(4-methylbenzene-6-id-1-yl)phenyl]methylideneamino]ethanamine
CID 66572690
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
CID 18441404
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
CID 139068771
N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
CID 153406520

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline (CID 102262356) is N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1Nc1ccccc1/C=N\CCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is UREVHVCYMFLAOF-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H33N3/c1-17(2)20-11-9-12-21(18(3)4)23(20)25-22-13-8-7-10-19(22)16-24-14-15-26(5)6/h7-13,16-18,25H,14-15H2,1-6H3/b24-16-.
What are the key properties of N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline?
N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 351.54 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 102262356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).