2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol

C78H168N10O10Si3 — CID 159543776

IUPAC2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol
SMILESC/N=C/C(C)(O)[Si](C)(C)C.C/N=C/C(O)(C(C)C)C(C)C.C=CC(C)(O)/C=N/C.CC/N=C/C(O)(CC)C(C)C.CC/N=C/C(O)(CC)CC.CCC(O)(/C=N/C)C(C)C.CCC(O)(/C=N/C)CC.CC[Si](CC)(CC)C(C)(O)/C=N/C.[H]/N=C/C(C)(O)C=C.[H]/N=C/C(C)(O)[Si](CC)(CC)CC
InChIInChI=1S/C10H23NOSi.C9H21NOSi.2C9H19NO.2C8H17NO.C7H17NOSi.C7H15NO.C6H11NO.C5H9NO/c1-6-13(7-2,8-3)10(4,12)9-11-5;1-5-12(6-2,7-3)9(4,11)8-10;1-7(2)9(11,6-10-5)8(3)4;1-5-9(11,8(3)4)7-10-6-2;1-5-8(10,6-9-4)7(2)3;1-4-8(10,5-2)7-9-6-3;1-7(9,6-8-2)10(3,4)5;1-4-7(9,5-2)6-8-3;1-4-6(2,8)5-7-3;1-3-5(2,7)4-6/h9,12H,6-8H2,1-5H3;8,10-11H,5-7H2,1-4H3;6-8,11H,1-5H3;7-8,11H,5-6H2,1-4H3;6-7,10H,5H2,1-4H3;7,10H,4-6H2,1-3H3;6,9H,1-5H3;6,9H,4-5H2,1-3H3;4-5,8H,1H2,2-3H3;3-4,6-7H,1H2,2H3/b11-9+;10-8+;10-6+;10-7+;9-6+;9-7+;2*8-6+;7-5+;6-4+
InChIKeyMENRIKKRRQHCOQ-MBOQTYAXSA-N
MW1490.52 g/mol
LogP15.39
Rot. Bonds33

About 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol

2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol (PubChem CID 159543776) has the molecular formula C78H168N10O10Si3 and a molecular weight of 1490.52 g/mol. Its IUPAC name is 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol
PubChem CID159543776
Molecular FormulaC78H168N10O10Si3
Molecular Weight1490.52 g/mol
Exact Mass1489.23
IUPAC Name2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol
SMILESC/N=C/C(C)(O)[Si](C)(C)C.C/N=C/C(O)(C(C)C)C(C)C.C=CC(C)(O)/C=N/C.CC/N=C/C(O)(CC)C(C)C.CC/N=C/C(O)(CC)CC.CCC(O)(/C=N/C)C(C)C.CCC(O)(/C=N/C)CC.CC[Si](CC)(CC)C(C)(O)/C=N/C.[H]/N=C/C(C)(O)C=C.[H]/N=C/C(C)(O)[Si](CC)(CC)CC
InChIInChI=1S/C10H23NOSi.C9H21NOSi.2C9H19NO.2C8H17NO.C7H17NOSi.C7H15NO.C6H11NO.C5H9NO/c1-6-13(7-2,8-3)10(4,12)9-11-5;1-5-12(6-2,7-3)9(4,11)8-10;1-7(2)9(11,6-10-5)8(3)4;1-5-9(11,8(3)4)7-10-6-2;1-5-8(10,6-9-4)7(2)3;1-4-8(10,5-2)7-9-6-3;1-7(9,6-8-2)10(3,4)5;1-4-7(9,5-2)6-8-3;1-4-6(2,8)5-7-3;1-3-5(2,7)4-6/h9,12H,6-8H2,1-5H3;8,10-11H,5-7H2,1-4H3;6-8,11H,1-5H3;7-8,11H,5-6H2,1-4H3;6-7,10H,5H2,1-4H3;7,10H,4-6H2,1-3H3;6,9H,1-5H3;6,9H,4-5H2,1-3H3;4-5,8H,1H2,2-3H3;3-4,6-7H,1H2,2H3/b11-9+;10-8+;10-6+;10-7+;9-6+;9-7+;2*8-6+;7-5+;6-4+
InChIKeyMENRIKKRRQHCOQ-MBOQTYAXSA-N
XLogP15.39
TPSA348.88 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001490.52
LogP ≤ 515.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol with MolForge

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Related Compounds

1-(dimethylhydrazinylidene)-2-methylbut-3-en-2-ol;2,3-dimethyl-1-methyliminobutan-2-ol;2,3-dimethyl-1-propan-2-yliminobutan-2-ol;1-ethylimino-2,3-dimethylbutan-2-ol;1-imino-2,3-dimethylbutan-2-ol;2-methyl-1-trimethylsilyliminobutan-2-ol;2-methyl-1-trimethylsilyliminobut-3-en-2-ol;2-methyl-1-trimethylsilyliminopropan-2-ol;nickel;2-triethylsilyl-1-triethylsilyliminopropan-2-ol;3-(trimethylsilyliminomethyl)pentan-3-ol;2-trimethylsilyl-1-trimethylsilyliminopropan-2-ol
CID 160760832
bis(1-(dimethylhydrazinylidene)-2-methylbutan-2-ol);3-[(dimethylhydrazinylidene)methyl]pentan-3-ol;1-(dimethylhydrazinylidene)-2-methylpropan-2-ol;1-(dimethylhydrazinylidene)-2-triethylsilylpropan-2-ol;1-(dimethylhydrazinylidene)-2-trimethylsilylpropan-2-ol;2-methyl-1-trimethylsilyliminobutan-2-ol;2-methyl-1-trimethylsilyliminobut-3-en-2-ol;2-methyl-1-trimethylsilyliminopropan-2-ol;2-triethylsilyl-1-triethylsilyliminopropan-2-ol;3-(trimethylsilyliminomethyl)pentan-3-ol;2-trimethylsilyl-1-trimethylsilyliminopropan-2-ol
CID 158935313
2-triethylsilyl-1-trimethylsilyliminopropan-2-ol
CID 140784793
3-ethyl-3-hydroxy-2-propan-2-ylpent-4-enoic acid
CID 66038595
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
3-imino-2-triethylsilylpent-4-en-2-ol
CID 140782974
3-ethyl-4,4-dimethylpent-1-en-3-ol
CID 91529318
1-propan-2-ylimino-2-trimethylsilylbutan-2-ol
CID 140784647
2,5,5-trimethyl-3-propan-2-ylheptan-3-ol
CID 156689537
(1-chloro-2-methylbutan-2-yl) prop-2-enoate
CID 20643700
4-methanimidoylheptan-4-ol
CID 175013591
5,5-dimethylhept-6-en-2-imine
CID 146447391

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol?
The IUPAC name of 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol (CID 159543776) is 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol.
What is the SMILES notation for 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol?
The canonical SMILES for 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol is C/N=C/C(C)(O)[Si](C)(C)C.C/N=C/C(O)(C(C)C)C(C)C.C=CC(C)(O)/C=N/C.CC/N=C/C(O)(CC)C(C)C.CC/N=C/C(O)(CC)CC.CCC(O)(/C=N/C)C(C)C.CCC(O)(/C=N/C)CC.CC[Si](CC)(CC)C(C)(O)/C=N/C.[H]/N=C/C(C)(O)C=C.[H]/N=C/C(C)(O)[Si](CC)(CC)CC.
What is the InChIKey of 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol?
The InChIKey is MENRIKKRRQHCOQ-MBOQTYAXSA-N. The full InChI is InChI=1S/C10H23NOSi.C9H21NOSi.2C9H19NO.2C8H17NO.C7H17NOSi.C7H15NO.C6H11NO.C5H9NO/c1-6-13(7-2,8-3)10(4,12)9-11-5;1-5-12(6-2,7-3)9(4,11)8-10;1-7(2)9(11,6-10-5)8(3)4;1-5-9(11,8(3)4)7-10-6-2;1-5-8(10,6-9-4)7(2)3;1-4-8(10,5-2)7-9-6-3;1-7(9,6-8-2)10(3,4)5;1-4-7(9,5-2)6-8-3;1-4-6(2,8)5-7-3;1-3-5(2,7)4-6/h9,12H,6-8H2,1-5H3;8,10-11H,5-7H2,1-4H3;6-8,11H,1-5H3;7-8,11H,5-6H2,1-4H3;6-7,10H,5H2,1-4H3;7,10H,4-6H2,1-3H3;6,9H,1-5H3;6,9H,4-5H2,1-3H3;4-5,8H,1H2,2-3H3;3-4,6-7H,1H2,2H3/b11-9+;10-8+;10-6+;10-7+;9-6+;9-7+;2*8-6+;7-5+;6-4+.
What are the key properties of 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol?
2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol has a molecular weight of 1490.52 g/mol, XLogP of 15.39, 33 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(methyliminomethyl)pentan-3-ol;3-(ethyliminomethyl)-2-methylpentan-3-ol;3-(ethyliminomethyl)pentan-3-ol;1-imino-2-methylbut-3-en-2-ol;1-imino-2-triethylsilylpropan-2-ol;3-(methyliminomethyl)pentan-3-ol;1-methylimino-2-triethylsilylpropan-2-ol;1-methylimino-2-trimethylsilylpropan-2-ol;2-methyl-1-methyliminobut-3-en-2-ol;2-methyl-3-(methyliminomethyl)pentan-3-ol is sourced from PubChem (CID 159543776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).