ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol

C28H50N2O — CID 143580453

IUPACethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol
SMILESCC.CC.CCc1nc(C(C)C)ccc1-c1nc(C)c(C(C)C(C)CC)cc1C.CO
InChIInChI=1S/C23H34N2.2C2H6.CH4O/c1-9-15(5)17(7)20-13-16(6)23(24-18(20)8)19-11-12-22(14(3)4)25-21(19)10-2;3*1-2/h11-15,17H,9-10H2,1-8H3;2*1-2H3;2H,1H3
InChIKeyFRLPIFWUSRHUSK-UHFFFAOYSA-N
MW430.72 g/mol
LogP8.26
Rot. Bonds6

About ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol

ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol (PubChem CID 143580453) has the molecular formula C28H50N2O and a molecular weight of 430.72 g/mol. Its IUPAC name is ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol.

Molecular Properties

Compound Nameethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol
PubChem CID143580453
Molecular FormulaC28H50N2O
Molecular Weight430.72 g/mol
Exact Mass430.39
IUPAC Nameethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol
SMILESCC.CC.CCc1nc(C(C)C)ccc1-c1nc(C)c(C(C)C(C)CC)cc1C.CO
InChIInChI=1S/C23H34N2.2C2H6.CH4O/c1-9-15(5)17(7)20-13-16(6)23(24-18(20)8)19-11-12-22(14(3)4)25-21(19)10-2;3*1-2/h11-15,17H,9-10H2,1-8H3;2*1-2H3;2H,1H3
InChIKeyFRLPIFWUSRHUSK-UHFFFAOYSA-N
XLogP8.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol with MolForge

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Related Compounds

ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine
CID 143580082
(2S)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butanoic acid
CID 71157631
(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
CID 24788873
[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine
CID 69452495
6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
CID 58702927
3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
CID 143580126
2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
CID 78016561
(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol
CID 69408235
N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol
CID 143579960
[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69435818
[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine
CID 69441750
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol?
The IUPAC name of ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol (CID 143580453) is ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol.
What is the SMILES notation for ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol?
The canonical SMILES for ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol is CC.CC.CCc1nc(C(C)C)ccc1-c1nc(C)c(C(C)C(C)CC)cc1C.CO.
What is the InChIKey of ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol?
The InChIKey is FRLPIFWUSRHUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2.2C2H6.CH4O/c1-9-15(5)17(7)20-13-16(6)23(24-18(20)8)19-11-12-22(14(3)4)25-21(19)10-2;3*1-2/h11-15,17H,9-10H2,1-8H3;2*1-2H3;2H,1H3.
What are the key properties of ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol?
ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol has a molecular weight of 430.72 g/mol, XLogP of 8.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol is sourced from PubChem (CID 143580453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).