(2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol

C119H244F3N3O15S — CID 158677656

IUPAC(2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol
SMILESCC(C)C(CO)C(C)C.CC(C)C(CO)c1ccccc1.CC(C)C[C@H](CO)C(C)C.CC(C)[C@@H](CO)CC1CC1.CCCC(C(N)=O)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(C)C)C(F)(F)F.CCC[C@H](C(=O)CC)C(C)C.CCC[C@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@H](C(=O)NCCO)C(C)C.CCC[C@H](C(=O)OC)C(C)C.CCC[C@H](CO)C(C)C.CSCCC(CO)C(C)C
InChIInChI=1S/C12H25NO2.C11H16O.C10H21NO2.C10H20O.C9H18O2.C9H18O.2C9H20O.C8H15F3.C8H17NO.C8H18OS.2C8H18O/c1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-6(2)8(5-9)7(3)4;1-4-5-8(6-9)7(2)3/h9-10,15H,6-8H2,1-5H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;6-9H,5H2,1-4H3;7-9H,4-6H2,1-3H3/t10-;;2*9-;8-;3*9-;7-;;;;8-/m0.0001110...1/s1
InChIKeyIESLMUUENZOAQI-LDXSPAHYSA-N
MW2046.33 g/mol
LogP28.72
Rot. Bonds56

About (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol

(2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol (PubChem CID 158677656) has the molecular formula C119H244F3N3O15S and a molecular weight of 2046.33 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol
PubChem CID158677656
Molecular FormulaC119H244F3N3O15S
Molecular Weight2046.33 g/mol
Exact Mass2044.81
IUPAC Name(2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol
SMILESCC(C)C(CO)C(C)C.CC(C)C(CO)c1ccccc1.CC(C)C[C@H](CO)C(C)C.CC(C)[C@@H](CO)CC1CC1.CCCC(C(N)=O)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(C)C)C(F)(F)F.CCC[C@H](C(=O)CC)C(C)C.CCC[C@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@H](C(=O)NCCO)C(C)C.CCC[C@H](C(=O)OC)C(C)C.CCC[C@H](CO)C(C)C.CSCCC(CO)C(C)C
InChIInChI=1S/C12H25NO2.C11H16O.C10H21NO2.C10H20O.C9H18O2.C9H18O.2C9H20O.C8H15F3.C8H17NO.C8H18OS.2C8H18O/c1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-6(2)8(5-9)7(3)4;1-4-5-8(6-9)7(2)3/h9-10,15H,6-8H2,1-5H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;6-9H,5H2,1-4H3;7-9H,4-6H2,1-3H3/t10-;;2*9-;8-;3*9-;7-;;;;8-/m0.0001110...1/s1
InChIKeyIESLMUUENZOAQI-LDXSPAHYSA-N
XLogP28.72
TPSA326.73 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds56
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002046.33
LogP ≤ 528.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol?
The IUPAC name of (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol (CID 158677656) is (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol.
What is the SMILES notation for (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol?
The canonical SMILES for (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol is CC(C)C(CO)C(C)C.CC(C)C(CO)c1ccccc1.CC(C)C[C@H](CO)C(C)C.CC(C)[C@@H](CO)CC1CC1.CCCC(C(N)=O)C(C)C.CCCC[C@H](CO)C(C)C.CCC[C@@H](C(C)C)C(F)(F)F.CCC[C@H](C(=O)CC)C(C)C.CCC[C@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@H](C(=O)NCCO)C(C)C.CCC[C@H](C(=O)OC)C(C)C.CCC[C@H](CO)C(C)C.CSCCC(CO)C(C)C.
What is the InChIKey of (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol?
The InChIKey is IESLMUUENZOAQI-LDXSPAHYSA-N. The full InChI is InChI=1S/C12H25NO2.C11H16O.C10H21NO2.C10H20O.C9H18O2.C9H18O.2C9H20O.C8H15F3.C8H17NO.C8H18OS.2C8H18O/c1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-9(2)11(8-12)10-6-4-3-5-7-10;1-4-5-9(8(2)3)10(13)11-6-7-12;1-5-7-9(8(3)4)10(11)6-2;1-5-6-8(7(2)3)9(10)11-4;1-7(2)9(6-10)5-8-3-4-8;1-7(2)5-9(6-10)8(3)4;1-4-5-6-9(7-10)8(2)3;1-4-5-7(6(2)3)8(9,10)11;1-4-5-7(6(2)3)8(9)10;1-7(2)8(6-9)4-5-10-3;1-6(2)8(5-9)7(3)4;1-4-5-8(6-9)7(2)3/h9-10,15H,6-8H2,1-5H3,(H,13,14);3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7H2,1-3H3,(H,11,13);8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-10H,5-6H2,1-4H3;8-10H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3,(H2,9,10);7-9H,4-6H2,1-3H3;6-9H,5H2,1-4H3;7-9H,4-6H2,1-3H3/t10-;;2*9-;8-;3*9-;7-;;;;8-/m0.0001110...1/s1.
What are the key properties of (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol?
(2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol has a molecular weight of 2046.33 g/mol, XLogP of 28.72, 56 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethyl)-3-methylbutan-1-ol;(2S)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2S)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;(2S)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol;3-methyl-2-phenylbutan-1-ol;3-methyl-2-propan-2-ylbutan-1-ol;methyl (2S)-2-propan-2-ylpentanoate;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;(3S)-2-methyl-3-(trifluoromethyl)hexane;(4S)-4-propan-2-ylheptan-3-one;(2S)-2-propan-2-ylhexan-1-ol;(2S)-2-propan-2-ylpentanamide;(2S)-2-propan-2-ylpentan-1-ol is sourced from PubChem (CID 158677656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).