2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine

C27H39N3 — CID 172607147

IUPAC2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine
SMILESCC(C)Cc1cccnc1.CC(C)c1ccncc1.CCc1cc(C(C)C)ccn1
InChIInChI=1S/C10H15N.C9H13N.C8H11N/c1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)8-3-5-9-6-4-8/h5-8H,4H2,1-3H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3
InChIKeySLRVLWMGOZOWDY-UHFFFAOYSA-N
MW405.63 g/mol
LogP7.25
Rot. Bonds5

About 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine

2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine (PubChem CID 172607147) has the molecular formula C27H39N3 and a molecular weight of 405.63 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine
PubChem CID172607147
Molecular FormulaC27H39N3
Molecular Weight405.63 g/mol
Exact Mass405.31
IUPAC Name2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine
SMILESCC(C)Cc1cccnc1.CC(C)c1ccncc1.CCc1cc(C(C)C)ccn1
InChIInChI=1S/C10H15N.C9H13N.C8H11N/c1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)8-3-5-9-6-4-8/h5-8H,4H2,1-3H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3
InChIKeySLRVLWMGOZOWDY-UHFFFAOYSA-N
XLogP7.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130661
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
2-ethyl-4-(3-methylbutan-2-yl)pyridine
CID 118301752
2-methyl-6-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine
CID 158328245
2-(2-methylpropyl)pyrazine;bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine
CID 167613413
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine?
The IUPAC name of 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine (CID 172607147) is 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine.
What is the SMILES notation for 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine?
The canonical SMILES for 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine is CC(C)Cc1cccnc1.CC(C)c1ccncc1.CCc1cc(C(C)C)ccn1.
What is the InChIKey of 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine?
The InChIKey is SLRVLWMGOZOWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H13N.C8H11N/c1-4-10-7-9(8(2)3)5-6-11-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)8-3-5-9-6-4-8/h5-8H,4H2,1-3H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3.
What are the key properties of 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine?
2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine has a molecular weight of 405.63 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 172607147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).