N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one

C10H21NO2 — CID 175053297

IUPACN,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one
SMILESCC=CN(C)C.CCOCC(C)=O
InChIInChI=1S/C5H11N.C5H10O2/c1-4-5-6(2)3;1-3-7-4-5(2)6/h4-5H,1-3H3;3-4H2,1-2H3
InChIKeyQFLBGBBVNDZBMD-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.69
Rot. Bonds4

About N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one

N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one (PubChem CID 175053297) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one.

Molecular Properties

Compound NameN,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one
PubChem CID175053297
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one
SMILESCC=CN(C)C.CCOCC(C)=O
InChIInChI=1S/C5H11N.C5H10O2/c1-4-5-6(2)3;1-3-7-4-5(2)6/h4-5H,1-3H3;3-4H2,1-2H3
InChIKeyQFLBGBBVNDZBMD-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

magnesium;1-ethoxypropan-2-one;hydride
CID 173062640
1-ethoxypropan-2-one;methyl propanoate
CID 158504783
2-ethoxy-N-formyl-N-methylacetamide
CID 174934557
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337
ethane;(Z)-1-ethoxy-2-methylbut-2-ene
CID 145193092
bis(N,N-dimethylprop-1-en-1-amine);methanamine
CID 175199279
2-ethoxyacetic acid
CID 159744705
1-[2-[methyl(propyl)amino]ethoxy]propan-2-one
CID 20706497
N,N-bis(prop-1-enyl)acetamide
CID 85447022
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
methoxyethane;1-methoxypropan-2-one
CID 159894285
carbonic acid;2-ethoxyacetic acid
CID 174869478

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one?
The IUPAC name of N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one (CID 175053297) is N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one.
What is the SMILES notation for N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one?
The canonical SMILES for N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one is CC=CN(C)C.CCOCC(C)=O.
What is the InChIKey of N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one?
The InChIKey is QFLBGBBVNDZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H10O2/c1-4-5-6(2)3;1-3-7-4-5(2)6/h4-5H,1-3H3;3-4H2,1-2H3.
What are the key properties of N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one?
N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-1-en-1-amine;1-ethoxypropan-2-one is sourced from PubChem (CID 175053297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).