3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide

C104H168F2N10O11S2 — CID 160677034

IUPAC3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide
SMILESC=CCNC(=O)CC(C)C.CC(=O)CCC(C)C.CC(C)C(C)C(N)=O.CC(C)C(C)c1ccncc1.CC(C)CCC(=O)N(C)C.CC(C)Cc1ccccc1F.CC(C)Cc1ccn(C)c(=O)c1.CC(F)Oc1ccc(C(C)C)nc1.COc1ccnc(CC(C)C)c1OC.Cc1ccc(C(=O)C(C)C)s1.Cc1ncc(C(=O)C(C)C)s1.Cc1noc(CC(C)C)n1
InChIInChI=1S/C11H17NO2.C10H14FNO.C10H13F.C10H15NO.C10H15N.C9H12OS.C8H11NOS.C8H17NO.C8H15NO.C7H12N2O.C7H14O.C6H13NO/c1-8(2)7-9-11(14-4)10(13-3)5-6-12-9;1-7(2)10-5-4-9(6-12-10)13-8(3)11;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)6-9-4-5-11(3)10(12)7-9;1-8(2)9(3)10-4-6-11-7-5-10;1-6(2)9(10)8-5-4-7(3)11-8;1-5(2)8(10)7-4-9-6(3)11-7;1-7(2)5-6-8(10)9(3)4;1-4-5-9-8(10)6-7(2)3;1-5(2)4-7-8-6(3)9-10-7;1-6(2)4-5-7(3)8;1-4(2)5(3)6(7)8/h5-6,8H,7H2,1-4H3;4-8H,1-3H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;7H,5-6H2,1-4H3;4,7H,1,5-6H2,2-3H3,(H,9,10);5H,4H2,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3,(H2,7,8)
InChIKeyRNQWWXGDPQXODJ-UHFFFAOYSA-N
MW1836.68 g/mol
LogP25.03
Rot. Bonds31

About 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide

3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide (PubChem CID 160677034) has the molecular formula C104H168F2N10O11S2 and a molecular weight of 1836.68 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide
PubChem CID160677034
Molecular FormulaC104H168F2N10O11S2
Molecular Weight1836.68 g/mol
Exact Mass1835.23
IUPAC Name3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide
SMILESC=CCNC(=O)CC(C)C.CC(=O)CCC(C)C.CC(C)C(C)C(N)=O.CC(C)C(C)c1ccncc1.CC(C)CCC(=O)N(C)C.CC(C)Cc1ccccc1F.CC(C)Cc1ccn(C)c(=O)c1.CC(F)Oc1ccc(C(C)C)nc1.COc1ccnc(CC(C)C)c1OC.Cc1ccc(C(=O)C(C)C)s1.Cc1ncc(C(=O)C(C)C)s1.Cc1noc(CC(C)C)n1
InChIInChI=1S/C11H17NO2.C10H14FNO.C10H13F.C10H15NO.C10H15N.C9H12OS.C8H11NOS.C8H17NO.C8H15NO.C7H12N2O.C7H14O.C6H13NO/c1-8(2)7-9-11(14-4)10(13-3)5-6-12-9;1-7(2)10-5-4-9(6-12-10)13-8(3)11;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)6-9-4-5-11(3)10(12)7-9;1-8(2)9(3)10-4-6-11-7-5-10;1-6(2)9(10)8-5-4-7(3)11-8;1-5(2)8(10)7-4-9-6(3)11-7;1-7(2)5-6-8(10)9(3)4;1-4-5-9-8(10)6-7(2)3;1-5(2)4-7-8-6(3)9-10-7;1-6(2)4-5-7(3)8;1-4(2)5(3)6(7)8/h5-6,8H,7H2,1-4H3;4-8H,1-3H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;7H,5-6H2,1-4H3;4,7H,1,5-6H2,2-3H3,(H,9,10);5H,4H2,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3,(H2,7,8)
InChIKeyRNQWWXGDPQXODJ-UHFFFAOYSA-N
XLogP25.03
TPSA283.88 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.68
LogP ≤ 525.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide with MolForge

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Related Compounds

3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;4-methylpentanamide;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide
CID 157769106
3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;4-methylpentanamide;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide
CID 158501209
3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;bis(2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one);3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide
CID 160022657

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide?
The IUPAC name of 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide (CID 160677034) is 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide.
What is the SMILES notation for 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide?
The canonical SMILES for 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide is C=CCNC(=O)CC(C)C.CC(=O)CCC(C)C.CC(C)C(C)C(N)=O.CC(C)C(C)c1ccncc1.CC(C)CCC(=O)N(C)C.CC(C)Cc1ccccc1F.CC(C)Cc1ccn(C)c(=O)c1.CC(F)Oc1ccc(C(C)C)nc1.COc1ccnc(CC(C)C)c1OC.Cc1ccc(C(=O)C(C)C)s1.Cc1ncc(C(=O)C(C)C)s1.Cc1noc(CC(C)C)n1.
What is the InChIKey of 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide?
The InChIKey is RNQWWXGDPQXODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C10H14FNO.C10H13F.C10H15NO.C10H15N.C9H12OS.C8H11NOS.C8H17NO.C8H15NO.C7H12N2O.C7H14O.C6H13NO/c1-8(2)7-9-11(14-4)10(13-3)5-6-12-9;1-7(2)10-5-4-9(6-12-10)13-8(3)11;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)6-9-4-5-11(3)10(12)7-9;1-8(2)9(3)10-4-6-11-7-5-10;1-6(2)9(10)8-5-4-7(3)11-8;1-5(2)8(10)7-4-9-6(3)11-7;1-7(2)5-6-8(10)9(3)4;1-4-5-9-8(10)6-7(2)3;1-5(2)4-7-8-6(3)9-10-7;1-6(2)4-5-7(3)8;1-4(2)5(3)6(7)8/h5-6,8H,7H2,1-4H3;4-8H,1-3H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;7H,5-6H2,1-4H3;4,7H,1,5-6H2,2-3H3,(H,9,10);5H,4H2,1-3H3;6H,4-5H2,1-3H3;4-5H,1-3H3,(H2,7,8).
What are the key properties of 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide?
3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide has a molecular weight of 1836.68 g/mol, XLogP of 25.03, 31 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(2-methylpropyl)pyridine;2,3-dimethylbutanamide;5-(1-fluoroethoxy)-2-propan-2-ylpyridine;1-fluoro-2-(2-methylpropyl)benzene;4-(3-methylbutan-2-yl)pyridine;5-methylhexan-2-one;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;1-methyl-4-(2-methylpropyl)pyridin-2-one;2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one;2-methyl-1-(5-methylthiophen-2-yl)propan-1-one;3-methyl-N-prop-2-enylbutanamide;N,N,4-trimethylpentanamide is sourced from PubChem (CID 160677034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).