1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one

C11H24N2O2 — CID 107507586

IUPAC1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one
SMILESCCN(CCCN(C)C)CC(=O)COC
InChIInChI=1S/C11H24N2O2/c1-5-13(8-6-7-12(2)3)9-11(14)10-15-4/h5-10H2,1-4H3
InChIKeyJGXUJKZGERGFQY-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.48
Rot. Bonds9

About 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one

1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one (PubChem CID 107507586) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one
PubChem CID107507586
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one
SMILESCCN(CCCN(C)C)CC(=O)COC
InChIInChI=1S/C11H24N2O2/c1-5-13(8-6-7-12(2)3)9-11(14)10-15-4/h5-10H2,1-4H3
InChIKeyJGXUJKZGERGFQY-UHFFFAOYSA-N
XLogP0.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)propyl-ethylamino]pentan-2-one
CID 102995101
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
CID 102996569
methyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)propanoate
CID 102996557
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
CID 170854608
1-[3-[bis[3-[bis[6-(dimethylamino)-3-oxohexyl]amino]propyl]amino]propyl-[6-(dimethylamino)-3-oxohexyl]amino]-6-(dimethylamino)hexan-3-one
CID 165064162
N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 102995078
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one (CID 107507586) is 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one is CCN(CCCN(C)C)CC(=O)COC.
What is the InChIKey of 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one?
The InChIKey is JGXUJKZGERGFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-13(8-6-7-12(2)3)9-11(14)10-15-4/h5-10H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one?
1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one has a molecular weight of 216.32 g/mol, XLogP of 0.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl-ethylamino]-3-methoxypropan-2-one is sourced from PubChem (CID 107507586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).