ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine

C34H61N3 — CID 159258113

IUPACethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine
SMILESC.CC.CC.CC.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1cnccc1C(C)C
InChIInChI=1S/3C9H13N.3C2H6.CH4/c1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;3*1-2;/h3*4-7H,1-3H3;3*1-2H3;1H4
InChIKeyKWDWMUGLQQPVLS-UHFFFAOYSA-N
MW511.88 g/mol
LogP11.25
Rot. Bonds3

About ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine

ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine (PubChem CID 159258113) has the molecular formula C34H61N3 and a molecular weight of 511.88 g/mol. Its IUPAC name is ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine
PubChem CID159258113
Molecular FormulaC34H61N3
Molecular Weight511.88 g/mol
Exact Mass511.49
IUPAC Nameethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine
SMILESC.CC.CC.CC.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1cnccc1C(C)C
InChIInChI=1S/3C9H13N.3C2H6.CH4/c1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;3*1-2;/h3*4-7H,1-3H3;3*1-2H3;1H4
InChIKeyKWDWMUGLQQPVLS-UHFFFAOYSA-N
XLogP11.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.88
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934
1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine
CID 161335876
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
3-[hydrazinyl-(3-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 105209198
2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane
CID 177234954
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
CID 159280113
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
CID 162214419
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
3,4-dimethylpyridine;1,2-xylene
CID 158871716
[(3-bromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105268115

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine?
The IUPAC name of ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine (CID 159258113) is ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine?
The canonical SMILES for ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine is C.CC.CC.CC.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1cnccc1C(C)C.
What is the InChIKey of ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine?
The InChIKey is KWDWMUGLQQPVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.3C2H6.CH4/c1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;3*1-2;/h3*4-7H,1-3H3;3*1-2H3;1H4.
What are the key properties of ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine?
ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine has a molecular weight of 511.88 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 159258113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).