1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol

C11H26N2O3 — CID 63070098

IUPAC1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
SMILESCCOC(CN)CCN(C)CC(O)COC
InChIInChI=1S/C11H26N2O3/c1-4-16-11(7-12)5-6-13(2)8-10(14)9-15-3/h10-11,14H,4-9,12H2,1-3H3
InChIKeyAEOJVGDOKHEVTM-UHFFFAOYSA-N
MW234.34 g/mol
LogP-0.32
Rot. Bonds10

About 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol

1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 63070098) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
PubChem CID63070098
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Name1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
SMILESCCOC(CN)CCN(C)CC(O)COC
InChIInChI=1S/C11H26N2O3/c1-4-16-11(7-12)5-6-13(2)8-10(14)9-15-3/h10-11,14H,4-9,12H2,1-3H3
InChIKeyAEOJVGDOKHEVTM-UHFFFAOYSA-N
XLogP-0.32
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
CID 63070450
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
CID 63070797
1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol
CID 62270239
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-amine
CID 104560310
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 63070283

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol (CID 63070098) is 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol is CCOC(CN)CCN(C)CC(O)COC.
What is the InChIKey of 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is AEOJVGDOKHEVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3/c1-4-16-11(7-12)5-6-13(2)8-10(14)9-15-3/h10-11,14H,4-9,12H2,1-3H3.
What are the key properties of 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol?
1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 234.34 g/mol, XLogP of -0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63070098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).