1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine

C12H27NO2 — CID 176738339

IUPAC1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine
SMILESCCOCC(COC(C)C)N(CC)CC
InChIInChI=1S/C12H27NO2/c1-6-13(7-2)12(9-14-8-3)10-15-11(4)5/h11-12H,6-10H2,1-5H3
InChIKeyYFCCRCIMFQMTMI-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.16
Rot. Bonds9

About 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine

1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine (PubChem CID 176738339) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine
PubChem CID176738339
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine
SMILESCCOCC(COC(C)C)N(CC)CC
InChIInChI=1S/C12H27NO2/c1-6-13(7-2)12(9-14-8-3)10-15-11(4)5/h11-12H,6-10H2,1-5H3
InChIKeyYFCCRCIMFQMTMI-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methoxyethyl)-1,3-di(propan-2-yloxy)propan-2-amine
CID 176738332
N,N-diethyl-1,3-bis(2-methoxyethoxy)propan-2-amine
CID 176738273
N,N-dimethyl-1,3-di(propan-2-yloxy)propan-2-amine
CID 176738241
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
(2R)-1,2-diethoxypropane
CID 92973991
2-ethoxypropane;zinc
CID 174321747
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153
1-ethoxypropan-2-ylphosphane
CID 89068231
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
1,3-diethoxybutan-2-yl(trimethyl)silane
CID 173485775
4-ethoxy-N,N-diethyl-3-methylbutan-1-amine
CID 10773944

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine (CID 176738339) is 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine is CCOCC(COC(C)C)N(CC)CC.
What is the InChIKey of 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is YFCCRCIMFQMTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-13(7-2)12(9-14-8-3)10-15-11(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine?
1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,N-diethyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 176738339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).