1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one

C11H24N2O — CID 22893159

IUPAC1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(CN(C)C)C(=O)C(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)11(14)10(7-13(5)6)12-9(3)4/h8-10,12H,7H2,1-6H3
InChIKeyLKEUJGSBPVWAGA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds6

About 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one

1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one (PubChem CID 22893159) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one
PubChem CID22893159
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one
SMILESCC(C)NC(CN(C)C)C(=O)C(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)11(14)10(7-13(5)6)12-9(3)4/h8-10,12H,7H2,1-6H3
InChIKeyLKEUJGSBPVWAGA-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The IUPAC name of 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one (CID 22893159) is 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one is CC(C)NC(CN(C)C)C(=O)C(C)C.
What is the InChIKey of 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one?
The InChIKey is LKEUJGSBPVWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)11(14)10(7-13(5)6)12-9(3)4/h8-10,12H,7H2,1-6H3.
What are the key properties of 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one?
1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one has a molecular weight of 200.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-methyl-2-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 22893159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).