2,3-diethylpyridine;bis(2,4,6-trimethylaniline)

C27H39N3 — CID 157436995

IUPAC2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
SMILESCCc1cccnc1CC.Cc1cc(C)c(N)c(C)c1.Cc1cc(C)c(N)c(C)c1
InChIInChI=1S/3C9H13N/c2*1-6-4-7(2)9(10)8(3)5-6;1-3-8-6-5-7-10-9(8)4-2/h2*4-5H,10H2,1-3H3;5-7H,3-4H2,1-2H3
InChIKeyBRFMKPJHXZDLHH-UHFFFAOYSA-N
MW405.63 g/mol
LogP6.59
Rot. Bonds2

About 2,3-diethylpyridine;bis(2,4,6-trimethylaniline)

2,3-diethylpyridine;bis(2,4,6-trimethylaniline) (PubChem CID 157436995) has the molecular formula C27H39N3 and a molecular weight of 405.63 g/mol. Its IUPAC name is 2,3-diethylpyridine;bis(2,4,6-trimethylaniline).

Molecular Properties

Compound Name2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
PubChem CID157436995
Molecular FormulaC27H39N3
Molecular Weight405.63 g/mol
Exact Mass405.31
IUPAC Name2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
SMILESCCc1cccnc1CC.Cc1cc(C)c(N)c(C)c1.Cc1cc(C)c(N)c(C)c1
InChIInChI=1S/3C9H13N/c2*1-6-4-7(2)9(10)8(3)5-6;1-3-8-6-5-7-10-9(8)4-2/h2*4-5H,10H2,1-3H3;5-7H,3-4H2,1-2H3
InChIKeyBRFMKPJHXZDLHH-UHFFFAOYSA-N
XLogP6.59
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diethylpyridine
CID 14747123
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
3-ethyl-2-(iodomethyl)pyridine
CID 166542162
3-(chloromethyl)-2-ethylpyridine;hydrochloride
CID 142546922
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 82730704
[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64699397
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
1,2-diethylbenzene;2,3-diethylpyridine;3,4-diethylpyridine;4,5-diethylpyrimidine;ethane
CID 158890245
ethane;3-ethyl-2-methylpyridine
CID 143071594
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
cobalt;2,4,6-trimethylaniline
CID 159454360

Frequently Asked Questions

What is the IUPAC name of 2,3-diethylpyridine;bis(2,4,6-trimethylaniline)?
The IUPAC name of 2,3-diethylpyridine;bis(2,4,6-trimethylaniline) (CID 157436995) is 2,3-diethylpyridine;bis(2,4,6-trimethylaniline).
What is the SMILES notation for 2,3-diethylpyridine;bis(2,4,6-trimethylaniline)?
The canonical SMILES for 2,3-diethylpyridine;bis(2,4,6-trimethylaniline) is CCc1cccnc1CC.Cc1cc(C)c(N)c(C)c1.Cc1cc(C)c(N)c(C)c1.
What is the InChIKey of 2,3-diethylpyridine;bis(2,4,6-trimethylaniline)?
The InChIKey is BRFMKPJHXZDLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N/c2*1-6-4-7(2)9(10)8(3)5-6;1-3-8-6-5-7-10-9(8)4-2/h2*4-5H,10H2,1-3H3;5-7H,3-4H2,1-2H3.
What are the key properties of 2,3-diethylpyridine;bis(2,4,6-trimethylaniline)?
2,3-diethylpyridine;bis(2,4,6-trimethylaniline) has a molecular weight of 405.63 g/mol, XLogP of 6.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylpyridine;bis(2,4,6-trimethylaniline) is sourced from PubChem (CID 157436995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).