3,3-bis(methylamino)-1-phenylpropan-1-one

C11H16N2O — CID 175140827

IUPAC3,3-bis(methylamino)-1-phenylpropan-1-one
SMILESCNC(CC(=O)c1ccccc1)NC
InChIInChI=1S/C11H16N2O/c1-12-11(13-2)8-10(14)9-6-4-3-5-7-9/h3-7,11-13H,8H2,1-2H3
InChIKeyNSJNKDPNKKOPHY-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.02
Rot. Bonds5

About 3,3-bis(methylamino)-1-phenylpropan-1-one

3,3-bis(methylamino)-1-phenylpropan-1-one (PubChem CID 175140827) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3,3-bis(methylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3,3-bis(methylamino)-1-phenylpropan-1-one
PubChem CID175140827
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3,3-bis(methylamino)-1-phenylpropan-1-one
SMILESCNC(CC(=O)c1ccccc1)NC
InChIInChI=1S/C11H16N2O/c1-12-11(13-2)8-10(14)9-6-4-3-5-7-9/h3-7,11-13H,8H2,1-2H3
InChIKeyNSJNKDPNKKOPHY-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
3-iodo-1-phenylpentan-1-one
CID 22934254
3-(methylamino)-4-oxo-4-phenylbutanoic acid
CID 82322276
3,5,5-trifluoro-1-phenylpentane-1,4-dione
CID 175401835
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(methylamino)-1-phenylpropan-1-one?
The IUPAC name of 3,3-bis(methylamino)-1-phenylpropan-1-one (CID 175140827) is 3,3-bis(methylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 3,3-bis(methylamino)-1-phenylpropan-1-one?
The canonical SMILES for 3,3-bis(methylamino)-1-phenylpropan-1-one is CNC(CC(=O)c1ccccc1)NC.
What is the InChIKey of 3,3-bis(methylamino)-1-phenylpropan-1-one?
The InChIKey is NSJNKDPNKKOPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-11(13-2)8-10(14)9-6-4-3-5-7-9/h3-7,11-13H,8H2,1-2H3.
What are the key properties of 3,3-bis(methylamino)-1-phenylpropan-1-one?
3,3-bis(methylamino)-1-phenylpropan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(methylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 175140827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).