1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one

C10H21NO2 — CID 81057198

IUPAC1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
SMILESCCC(=O)CN(C)CCOC(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(12)8-11(4)6-7-13-9(2)3/h9H,5-8H2,1-4H3
InChIKeyWVOQHECDHSXXCX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.32
Rot. Bonds7

About 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one

1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one (PubChem CID 81057198) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one.

Molecular Properties

Compound Name1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
PubChem CID81057198
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
SMILESCCC(=O)CN(C)CCOC(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(12)8-11(4)6-7-13-9(2)3/h9H,5-8H2,1-4H3
InChIKeyWVOQHECDHSXXCX-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
1-cyclopropyl-2-[methyl(2-propan-2-yloxyethyl)amino]ethanone
CID 81057640
1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283
2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81062306
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine
CID 103071074
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
hydrazinyl 3-[methyl(2-propan-2-yloxyethyl)amino]propanoate
CID 81068250
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one?
The IUPAC name of 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one (CID 81057198) is 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one.
What is the SMILES notation for 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one?
The canonical SMILES for 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one is CCC(=O)CN(C)CCOC(C)C.
What is the InChIKey of 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one?
The InChIKey is WVOQHECDHSXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(12)8-11(4)6-7-13-9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one?
1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one is sourced from PubChem (CID 81057198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).