2-ethoxy-3-(2-ethylhexoxy)propan-1-amine

C13H29NO2 — CID 63070822

IUPAC2-ethoxy-3-(2-ethylhexoxy)propan-1-amine
SMILESCCCCC(CC)COCC(CN)OCC
InChIInChI=1S/C13H29NO2/c1-4-7-8-12(5-2)10-15-11-13(9-14)16-6-3/h12-13H,4-11,14H2,1-3H3
InChIKeyMYQMMZYDKSIBJC-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.58
Rot. Bonds11

About 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine

2-ethoxy-3-(2-ethylhexoxy)propan-1-amine (PubChem CID 63070822) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(2-ethylhexoxy)propan-1-amine
PubChem CID63070822
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-ethoxy-3-(2-ethylhexoxy)propan-1-amine
SMILESCCCCC(CC)COCC(CN)OCC
InChIInChI=1S/C13H29NO2/c1-4-7-8-12(5-2)10-15-11-13(9-14)16-6-3/h12-13H,4-11,14H2,1-3H3
InChIKeyMYQMMZYDKSIBJC-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pentanamine, 3-[(2-ethylhexyl)oxy]-
CID 19432124
1-Amino-3-[(2-ethylhexyl)oxy]propan-2-OL
CID 19734691
2-(2-Ethylhexoxy)propan-1-amine
CID 53749876
2-(2-Ethylhexoxy)ethanamine
CID 18672806
1-(2-Aminoethoxy)-4-methylcyclohexane
CID 20119414
3-[[(3R,4R)-3,4,5-trimethyloxan-2-yl]methoxy]propan-1-amine
CID 58400153
2-(Cyclohexylmethoxy)propan-1-amine
CID 62381845
2-[2-(4-Ethylcyclohexyl)oxyethoxy]ethanamine
CID 69612034
2-[(2S,3R,4S)-2,4-dimethyloxan-3-yl]oxyethanamine
CID 89358094
3-[(2S,3R,4S)-2,4-dimethyloxan-3-yl]oxypropan-1-amine
CID 89358143
1-[2-(4-Methylpentoxy)propoxy]propan-2-amine
CID 122644804
(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine
CID 126668283

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine (CID 63070822) is 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine is CCCCC(CC)COCC(CN)OCC.
What is the InChIKey of 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine?
The InChIKey is MYQMMZYDKSIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-7-8-12(5-2)10-15-11-13(9-14)16-6-3/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine?
2-ethoxy-3-(2-ethylhexoxy)propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-ethylhexoxy)propan-1-amine is sourced from PubChem (CID 63070822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).