2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane

C35H74N2O5 — CID 160513857

IUPAC2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane
SMILESCC(C)C(=O)C(C)(C)N(C)C(C)C.CC(C)C(=O)CC(C)(C)OCCN(C)C(C)C.CC(C)OCC(C)(C)OC(C)C
InChIInChI=1S/C14H29NO2.C11H23NO.C10H22O2/c1-11(2)13(16)10-14(5,6)17-9-8-15(7)12(3)4;1-8(2)10(13)11(5,6)12(7)9(3)4;1-8(2)11-7-10(5,6)12-9(3)4/h11-12H,8-10H2,1-7H3;8-9H,1-7H3;8-9H,7H2,1-6H3
InChIKeyQTJSWVFZDWQBOY-UHFFFAOYSA-N
MW602.99 g/mol
LogP7.68
Rot. Bonds17

About 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane

2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane (PubChem CID 160513857) has the molecular formula C35H74N2O5 and a molecular weight of 602.99 g/mol. Its IUPAC name is 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane.

Molecular Properties

Compound Name2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane
PubChem CID160513857
Molecular FormulaC35H74N2O5
Molecular Weight602.99 g/mol
Exact Mass602.56
IUPAC Name2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane
SMILESCC(C)C(=O)C(C)(C)N(C)C(C)C.CC(C)C(=O)CC(C)(C)OCCN(C)C(C)C.CC(C)OCC(C)(C)OC(C)C
InChIInChI=1S/C14H29NO2.C11H23NO.C10H22O2/c1-11(2)13(16)10-14(5,6)17-9-8-15(7)12(3)4;1-8(2)10(13)11(5,6)12(7)9(3)4;1-8(2)11-7-10(5,6)12-9(3)4/h11-12H,8-10H2,1-7H3;8-9H,1-7H3;8-9H,7H2,1-6H3
InChIKeyQTJSWVFZDWQBOY-UHFFFAOYSA-N
XLogP7.68
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.99
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-propan-2-yloxy-5,5-bis(propan-2-yloxymethyl)hexan-3-one
CID 159574495
N-[1-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide
CID 177228227
N-[4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2-methylbutan-2-yl]-N-methylbutanamide
CID 166554576
2,5-dimethyl-5-[3-methyl-3-(2-oxopropoxy)butoxy]hexan-3-one
CID 170001080
N-[1,3-bis(4-methyl-3-oxopentoxy)-2-[(4-methyl-3-oxopentoxy)methyl]propan-2-yl]-3-methyl-3-(2-methyl-2-propan-2-yloxypropoxy)butanamide;methanol
CID 171557290
3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one
CID 176581358
2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
CID 176678896
2,5-dimethyl-5-(3-methylbutoxy)hexan-3-one;6-methyl-5-oxoheptanamide
CID 171804821
4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one
CID 161192444
3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one
CID 167150248
5,5-dibromo-2-methylhexan-3-one
CID 88577615
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane?
The IUPAC name of 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane (CID 160513857) is 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane.
What is the SMILES notation for 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane?
The canonical SMILES for 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane is CC(C)C(=O)C(C)(C)N(C)C(C)C.CC(C)C(=O)CC(C)(C)OCCN(C)C(C)C.CC(C)OCC(C)(C)OC(C)C.
What is the InChIKey of 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane?
The InChIKey is QTJSWVFZDWQBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C11H23NO.C10H22O2/c1-11(2)13(16)10-14(5,6)17-9-8-15(7)12(3)4;1-8(2)10(13)11(5,6)12(7)9(3)4;1-8(2)11-7-10(5,6)12-9(3)4/h11-12H,8-10H2,1-7H3;8-9H,1-7H3;8-9H,7H2,1-6H3.
What are the key properties of 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane?
2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane has a molecular weight of 602.99 g/mol, XLogP of 7.68, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-[2-[methyl(propan-2-yl)amino]ethoxy]hexan-3-one;2,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-3-one;2-methyl-1,2-di(propan-2-yloxy)propane is sourced from PubChem (CID 160513857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).