1-[2-oxopropyl(propan-2-yl)amino]propan-2-one

C9H17NO2 — CID 59404270

IUPAC1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
SMILESCC(=O)CN(CC(C)=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)10(5-8(3)11)6-9(4)12/h7H,5-6H2,1-4H3
InChIKeyNLNBLBXVFVJHIX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.87
Rot. Bonds5

About 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one

1-[2-oxopropyl(propan-2-yl)amino]propan-2-one (PubChem CID 59404270) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
PubChem CID59404270
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
SMILESCC(=O)CN(CC(C)=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)10(5-8(3)11)6-9(4)12/h7H,5-6H2,1-4H3
InChIKeyNLNBLBXVFVJHIX-UHFFFAOYSA-N
XLogP0.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
3-[2-oxopropyl(propan-2-yl)amino]propanenitrile
CID 62036211
3-[bis(2-oxopropyl)amino]pentane-2,4-dione
CID 90473098
ethane;1-[methyl(propan-2-yl)amino]propan-2-one
CID 178033962
1-[2,2-diphenylethyl(propan-2-yl)amino]propan-2-one
CID 70849636
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
N-(2-oxopropyl)-N-propan-2-ylformamide
CID 91405611
potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide
CID 63703594
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one?
The IUPAC name of 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one (CID 59404270) is 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one is CC(=O)CN(CC(C)=O)C(C)C.
What is the InChIKey of 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one?
The InChIKey is NLNBLBXVFVJHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10(5-8(3)11)6-9(4)12/h7H,5-6H2,1-4H3.
What are the key properties of 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one?
1-[2-oxopropyl(propan-2-yl)amino]propan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxopropyl(propan-2-yl)amino]propan-2-one is sourced from PubChem (CID 59404270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).