ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine

C27H44N2O — CID 143580082

IUPACethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine
SMILESC/C=C(/CC)c1cc(CC)c(-c2ccc(C(C)C)nc2CC)nc1C.CC.CCO
InChIInChI=1S/C23H32N2.C2H6O.C2H6/c1-8-17(9-2)20-14-18(10-3)23(24-16(20)7)19-12-13-22(15(5)6)25-21(19)11-4;1-2-3;1-2/h8,12-15H,9-11H2,1-7H3;3H,2H2,1H3;1-2H3/b17-8-;;
InChIKeyPLLASULXXXFYKV-POSKMQCJSA-N
MW412.66 g/mol
LogP7.54
Rot. Bonds6

About ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine

ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine (PubChem CID 143580082) has the molecular formula C27H44N2O and a molecular weight of 412.66 g/mol. Its IUPAC name is ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine.

Molecular Properties

Compound Nameethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine
PubChem CID143580082
Molecular FormulaC27H44N2O
Molecular Weight412.66 g/mol
Exact Mass412.35
IUPAC Nameethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine
SMILESC/C=C(/CC)c1cc(CC)c(-c2ccc(C(C)C)nc2CC)nc1C.CC.CCO
InChIInChI=1S/C23H32N2.C2H6O.C2H6/c1-8-17(9-2)20-14-18(10-3)23(24-16(20)7)19-12-13-22(15(5)6)25-21(19)11-4;1-2-3;1-2/h8,12-15H,9-11H2,1-7H3;3H,2H2,1H3;1-2H3/b17-8-;;
InChIKeyPLLASULXXXFYKV-POSKMQCJSA-N
XLogP7.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(Z,3S)-3-ethyl-4-[5-ethyl-2-methyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-pyridinyl]hex-4-en-1-ol
CID 71157814
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
ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol
CID 143580453
(2S)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butanoic acid
CID 71157631
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-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
CID 143580126
(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
(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
[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine
CID 69441750
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-2,6-di(propan-2-yl)pyridine
CID 166726878
2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
CID 143580493

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine?
The IUPAC name of 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) is ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine.
What is the SMILES notation for ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine?
The canonical SMILES for ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine is C/C=C(/CC)c1cc(CC)c(-c2ccc(C(C)C)nc2CC)nc1C.CC.CCO.
What is the InChIKey of ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine?
The InChIKey is PLLASULXXXFYKV-POSKMQCJSA-N. The full InChI is InChI=1S/C23H32N2.C2H6O.C2H6/c1-8-17(9-2)20-14-18(10-3)23(24-16(20)7)19-12-13-22(15(5)6)25-21(19)11-4;1-2-3;1-2/h8,12-15H,9-11H2,1-7H3;3H,2H2,1H3;1-2H3/b17-8-;;.
What are the key properties of ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine?
ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine has a molecular weight of 412.66 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine is sourced from PubChem (CID 143580082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).