(6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine

C33H45AlN2 — CID 177423637

IUPAC(6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine
SMILESCC(C)C[Al](CC(C)C)/N=C/CCCC(C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N2.2C4H9.Al/c1-21(13-11-12-20-26)27-25(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24;2*1-4(2)3;/h2-10,14-21,27H,11-13H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyGQGFYMXLZLUFCD-UHFFFAOYSA-N
MW496.72 g/mol
LogP8.50
Rot. Bonds14

About (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine

(6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine (PubChem CID 177423637) has the molecular formula C33H45AlN2 and a molecular weight of 496.72 g/mol. Its IUPAC name is (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine.

Molecular Properties

Compound Name(6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine
PubChem CID177423637
Molecular FormulaC33H45AlN2
Molecular Weight496.72 g/mol
Exact Mass496.34
IUPAC Name(6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine
SMILESCC(C)C[Al](CC(C)C)/N=C/CCCC(C)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N2.2C4H9.Al/c1-21(13-11-12-20-26)27-25(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24;2*1-4(2)3;/h2-10,14-21,27H,11-13H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyGQGFYMXLZLUFCD-UHFFFAOYSA-N
XLogP8.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.72
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine
CID 177405879
2,9-dimethyl-N-trityldecan-5-amine
CID 67451317
N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine
CID 13301932
(2S)-2-(tritylamino)propanal
CID 11723234
(2S)-3-methyl-2-(tritylamino)butanal
CID 139696692
(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol
CID 134884047
3-methyl-N-phenylbutan-1-imine
CID 14418149
2-(tritylamino)pentanoic acid
CID 70010724
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
methyl (2S)-3-octoxy-2-(tritylamino)propanoate
CID 10863686
1-(tritylamino)ethylphosphonic acid
CID 150279074
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine?
The IUPAC name of (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine (CID 177423637) is (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine.
What is the SMILES notation for (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine?
The canonical SMILES for (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine is CC(C)C[Al](CC(C)C)/N=C/CCCC(C)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine?
The InChIKey is GQGFYMXLZLUFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2.2C4H9.Al/c1-21(13-11-12-20-26)27-25(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24;2*1-4(2)3;/h2-10,14-21,27H,11-13H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine?
(6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine has a molecular weight of 496.72 g/mol, XLogP of 8.50, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[bis(2-methylpropyl)alumanylimino]-N-tritylhexan-2-amine is sourced from PubChem (CID 177423637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).