2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline

C28H29N3 — CID 102529108

IUPAC2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccccc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C28H29N3/c1-19(2)23-13-8-14-24(20(3)4)28(23)31-25-15-6-5-10-22(25)18-30-26-16-7-11-21-12-9-17-29-27(21)26/h5-20,31H,1-4H3/b30-18+
InChIKeyVHNWAEPNGZTNSJ-UXHLAJHPSA-N
MW407.56 g/mol
LogP7.98
Rot. Bonds6

About 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline

2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline (PubChem CID 102529108) has the molecular formula C28H29N3 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
PubChem CID102529108
Molecular FormulaC28H29N3
Molecular Weight407.56 g/mol
Exact Mass407.24
IUPAC Name2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccccc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C28H29N3/c1-19(2)23-13-8-14-24(20(3)4)28(23)31-25-15-6-5-10-22(25)18-30-26-16-7-11-21-12-9-17-29-27(21)26/h5-20,31H,1-4H3/b30-18+
InChIKeyVHNWAEPNGZTNSJ-UXHLAJHPSA-N
XLogP7.98
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 57.98
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-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
CID 153406520
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
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
2-(quinolin-8-yliminomethyl)benzene-1,4-diol
CID 136851567
N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 102262356
N-(2-methanimidoylphenyl)-2,6-di(propan-2-yl)aniline
CID 87946949
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-[(Z)-3-quinolin-8-yliminoprop-1-enyl]quinolin-8-amine
CID 71526769
2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine
CID 168763290
2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
CID 136675336
2-tert-butyl-6-[(2-propan-2-ylphenyl)iminomethyl]phenol;titanium(2+);dichloride
CID 175088591
5-bromo-2-(quinolin-8-yliminomethyl)phenol
CID 137082979

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline?
The IUPAC name of 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline (CID 102529108) is 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline.
What is the SMILES notation for 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline?
The canonical SMILES for 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline is CC(C)c1cccc(C(C)C)c1Nc1ccccc1/C=N/c1cccc2cccnc12.
What is the InChIKey of 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline?
The InChIKey is VHNWAEPNGZTNSJ-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H29N3/c1-19(2)23-13-8-14-24(20(3)4)28(23)31-25-15-6-5-10-22(25)18-30-26-16-7-11-21-12-9-17-29-27(21)26/h5-20,31H,1-4H3/b30-18+.
What are the key properties of 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline?
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline has a molecular weight of 407.56 g/mol, XLogP of 7.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline is sourced from PubChem (CID 102529108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).