ethane;1-[methyl(propan-2-yl)amino]propan-2-one

C9H21NO — CID 178033962

IUPACethane;1-[methyl(propan-2-yl)amino]propan-2-one
SMILESCC.CC(=O)CN(C)C(C)C
InChIInChI=1S/C7H15NO.C2H6/c1-6(2)8(4)5-7(3)9;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyNLISXRCXNKDWQY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.94
Rot. Bonds3

About ethane;1-[methyl(propan-2-yl)amino]propan-2-one

ethane;1-[methyl(propan-2-yl)amino]propan-2-one (PubChem CID 178033962) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;1-[methyl(propan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Nameethane;1-[methyl(propan-2-yl)amino]propan-2-one
PubChem CID178033962
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;1-[methyl(propan-2-yl)amino]propan-2-one
SMILESCC.CC(=O)CN(C)C(C)C
InChIInChI=1S/C7H15NO.C2H6/c1-6(2)8(4)5-7(3)9;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyNLISXRCXNKDWQY-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(2-oxopropyl)amino]propanoic acid
CID 59576342
1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270
N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide
CID 170366635
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571
ethane;1-[ethyl(methyl)amino]propan-2-one
CID 142250702
N-methyl-N-[[methyl(propan-2-yl)amino]methyl]acetamide
CID 21336479
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
4-[methyl(propan-2-yl)amino]-3-oxobutanenitrile
CID 117038283
7-[methyl(propan-2-yl)amino]heptan-2-one
CID 166554593
N-(2-oxopropyl)-N-propan-2-ylformamide
CID 91405611
2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294

Frequently Asked Questions

What is the IUPAC name of ethane;1-[methyl(propan-2-yl)amino]propan-2-one?
The IUPAC name of ethane;1-[methyl(propan-2-yl)amino]propan-2-one (CID 178033962) is ethane;1-[methyl(propan-2-yl)amino]propan-2-one.
What is the SMILES notation for ethane;1-[methyl(propan-2-yl)amino]propan-2-one?
The canonical SMILES for ethane;1-[methyl(propan-2-yl)amino]propan-2-one is CC.CC(=O)CN(C)C(C)C.
What is the InChIKey of ethane;1-[methyl(propan-2-yl)amino]propan-2-one?
The InChIKey is NLISXRCXNKDWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-6(2)8(4)5-7(3)9;1-2/h6H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;1-[methyl(propan-2-yl)amino]propan-2-one?
ethane;1-[methyl(propan-2-yl)amino]propan-2-one has a molecular weight of 159.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[methyl(propan-2-yl)amino]propan-2-one is sourced from PubChem (CID 178033962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).