2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine

C13H28N2O2 — CID 107505772

IUPAC2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
SMILESCCNC(COC)CN(C)CC1CCCOC1
InChIInChI=1S/C13H28N2O2/c1-4-14-13(11-16-3)9-15(2)8-12-6-5-7-17-10-12/h12-14H,4-11H2,1-3H3
InChIKeyHTVAMTBBOTZQCK-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds8

About 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine

2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine (PubChem CID 107505772) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
PubChem CID107505772
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
SMILESCCNC(COC)CN(C)CC1CCCOC1
InChIInChI=1S/C13H28N2O2/c1-4-14-13(11-16-3)9-15(2)8-12-6-5-7-17-10-12/h12-14H,4-11H2,1-3H3
InChIKeyHTVAMTBBOTZQCK-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-N-methyl-1-N-(oxan-4-ylmethyl)-2-N-propylpropane-1,2-diamine
CID 107505775
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505670
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
CID 63727178
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
ethyl 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713360
3-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)propanoic acid
CID 63711612
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine (CID 107505772) is 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine is CCNC(COC)CN(C)CC1CCCOC1.
What is the InChIKey of 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
The InChIKey is HTVAMTBBOTZQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-14-13(11-16-3)9-15(2)8-12-6-5-7-17-10-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine?
2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 107505772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).