2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine

C28H40N2O — CID 167579061

IUPAC2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CCc1cccc(C(C)C)n1.COc1ccc(C(C)C)cc1
InChIInChI=1S/C10H15N.C10H14O.C8H11N/c1-4-9-6-5-7-10(11-9)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-5-3-4-6-9-8/h5-8H,4H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3
InChIKeyGXVYOPFKHDLUOL-UHFFFAOYSA-N
MW420.64 g/mol
LogP7.79
Rot. Bonds5

About 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine

2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine (PubChem CID 167579061) has the molecular formula C28H40N2O and a molecular weight of 420.64 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine.

Molecular Properties

Compound Name2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine
PubChem CID167579061
Molecular FormulaC28H40N2O
Molecular Weight420.64 g/mol
Exact Mass420.31
IUPAC Name2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CCc1cccc(C(C)C)n1.COc1ccc(C(C)C)cc1
InChIInChI=1S/C10H15N.C10H14O.C8H11N/c1-4-9-6-5-7-10(11-9)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-5-3-4-6-9-8/h5-8H,4H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3
InChIKeyGXVYOPFKHDLUOL-UHFFFAOYSA-N
XLogP7.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cumene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 159792908
cumene;2-ethyl-6-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-methoxy-6-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylpyridine
CID 162018837
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate
CID 101157279
1-(3,5-dimethoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460720
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine?
The IUPAC name of 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine (CID 167579061) is 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine.
What is the SMILES notation for 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine?
The canonical SMILES for 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine is CC(C)c1ccccn1.CCc1cccc(C(C)C)n1.COc1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine?
The InChIKey is GXVYOPFKHDLUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C10H14O.C8H11N/c1-4-9-6-5-7-10(11-9)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-5-3-4-6-9-8/h5-8H,4H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3.
What are the key properties of 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine?
2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine has a molecular weight of 420.64 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine is sourced from PubChem (CID 167579061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).