ethane;(3S)-3-[methyl(propyl)amino]butan-2-one

C10H23NO — CID 166155780

IUPACethane;(3S)-3-[methyl(propyl)amino]butan-2-one
SMILESCC.CCCN(C)[C@@H](C)C(C)=O
InChIInChI=1S/C8H17NO.C2H6/c1-5-6-9(4)7(2)8(3)10;1-2/h7H,5-6H2,1-4H3;1-2H3/t7-;/m0./s1
InChIKeyOHVGUJRPDDTXDP-FJXQXJEOSA-N
MW173.30 g/mol
LogP2.33
Rot. Bonds4

About ethane;(3S)-3-[methyl(propyl)amino]butan-2-one

ethane;(3S)-3-[methyl(propyl)amino]butan-2-one (PubChem CID 166155780) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;(3S)-3-[methyl(propyl)amino]butan-2-one.

Molecular Properties

Compound Nameethane;(3S)-3-[methyl(propyl)amino]butan-2-one
PubChem CID166155780
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;(3S)-3-[methyl(propyl)amino]butan-2-one
SMILESCC.CCCN(C)[C@@H](C)C(C)=O
InChIInChI=1S/C8H17NO.C2H6/c1-5-6-9(4)7(2)8(3)10;1-2/h7H,5-6H2,1-4H3;1-2H3/t7-;/m0./s1
InChIKeyOHVGUJRPDDTXDP-FJXQXJEOSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[methyl(propyl)amino]butan-2-one
CID 93295226
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341
3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001
3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
CID 82329288
2-[butyl(methyl)amino]propanamide
CID 60644986
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[methyl(propyl)amino]butanamide
CID 62900463
1-[methyl(propyl)amino]propan-1-ol
CID 118973060
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-[methyl(propyl)amino]butan-2-one?
The IUPAC name of ethane;(3S)-3-[methyl(propyl)amino]butan-2-one (CID 166155780) is ethane;(3S)-3-[methyl(propyl)amino]butan-2-one.
What is the SMILES notation for ethane;(3S)-3-[methyl(propyl)amino]butan-2-one?
The canonical SMILES for ethane;(3S)-3-[methyl(propyl)amino]butan-2-one is CC.CCCN(C)[C@@H](C)C(C)=O.
What is the InChIKey of ethane;(3S)-3-[methyl(propyl)amino]butan-2-one?
The InChIKey is OHVGUJRPDDTXDP-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-5-6-9(4)7(2)8(3)10;1-2/h7H,5-6H2,1-4H3;1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(3S)-3-[methyl(propyl)amino]butan-2-one?
ethane;(3S)-3-[methyl(propyl)amino]butan-2-one has a molecular weight of 173.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-[methyl(propyl)amino]butan-2-one is sourced from PubChem (CID 166155780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).