3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one

C11H24N2O2 — CID 158014826

IUPAC3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one
SMILESCC(=O)C(N)C(C)C.CC(=O)CN(C)C
InChIInChI=1S/C6H13NO.C5H11NO/c1-4(2)6(7)5(3)8;1-5(7)4-6(2)3/h4,6H,7H2,1-3H3;4H2,1-3H3
InChIKeyFFIDNYFENYSXND-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.70
Rot. Bonds4

About 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one

3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one (PubChem CID 158014826) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one
PubChem CID158014826
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one
SMILESCC(=O)C(N)C(C)C.CC(=O)CN(C)C
InChIInChI=1S/C6H13NO.C5H11NO/c1-4(2)6(7)5(3)8;1-5(7)4-6(2)3/h4,6H,7H2,1-3H3;4H2,1-3H3
InChIKeyFFIDNYFENYSXND-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143701294
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CID 62921574
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
(2R)-2-amino-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 104868591
3-amino-2,7-dimethyloct-7-en-4-one
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ethane;1-[methyl(propan-2-yl)amino]propan-2-one
CID 178033962
2-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylbutanamide
CID 63693134
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270119
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
3-amino-4-hydroxypentan-2-one;4-hydroxypentan-2-one
CID 159964443
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one?
The IUPAC name of 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one (CID 158014826) is 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one.
What is the SMILES notation for 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one?
The canonical SMILES for 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one is CC(=O)C(N)C(C)C.CC(=O)CN(C)C.
What is the InChIKey of 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one?
The InChIKey is FFIDNYFENYSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H11NO/c1-4(2)6(7)5(3)8;1-5(7)4-6(2)3/h4,6H,7H2,1-3H3;4H2,1-3H3.
What are the key properties of 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one?
3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one has a molecular weight of 216.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylpentan-2-one;1-(dimethylamino)propan-2-one is sourced from PubChem (CID 158014826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).