1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one

C18H33NO3 — CID 134294536

IUPAC1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
SMILESCC(C)C(=O)CCN(CCC(=O)C(C)C)CCC(=O)C(C)C
InChIInChI=1S/C18H33NO3/c1-13(2)16(20)7-10-19(11-8-17(21)14(3)4)12-9-18(22)15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyIHTZPFJDSNZJLF-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.13
Rot. Bonds12

About 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one

1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one (PubChem CID 134294536) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
PubChem CID134294536
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
SMILESCC(C)C(=O)CCN(CCC(=O)C(C)C)CCC(=O)C(C)C
InChIInChI=1S/C18H33NO3/c1-13(2)16(20)7-10-19(11-8-17(21)14(3)4)12-9-18(22)15(5)6/h13-15H,7-12H2,1-6H3
InChIKeyIHTZPFJDSNZJLF-UHFFFAOYSA-N
XLogP3.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
CID 121263417
6-bromo-2-methylhexan-3-one
CID 12643721
1-(diethylamino)-4-methylhexan-3-one
CID 79446320
1-[3,6-dimethylhept-4-ynyl(methyl)amino]-4-methylpentan-3-one
CID 155750746
N',N',5-trimethyl-4-oxohexanehydrazide
CID 59531474
6-methylheptane-2,5-dione;2-methylpropane;vanadium(2+)
CID 21354478
2-methylheptan-3-one;hydrate
CID 176897102
4-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
CID 168813653
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
2,7-dimethyloctane-3,6-dione;4-methyl-1-[methyl(propan-2-yl)amino]pentan-3-one;4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 159299967
N-acetyl-N-(6-methyl-5-oxoheptyl)propanamide;ethane
CID 176691371

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one?
The IUPAC name of 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one (CID 134294536) is 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one.
What is the SMILES notation for 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one?
The canonical SMILES for 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one is CC(C)C(=O)CCN(CCC(=O)C(C)C)CCC(=O)C(C)C.
What is the InChIKey of 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one?
The InChIKey is IHTZPFJDSNZJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-13(2)16(20)7-10-19(11-8-17(21)14(3)4)12-9-18(22)15(5)6/h13-15H,7-12H2,1-6H3.
What are the key properties of 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one?
1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one has a molecular weight of 311.47 g/mol, XLogP of 3.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one is sourced from PubChem (CID 134294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).