2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

C12H21N3O — CID 63069655

IUPAC2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)Cc1ccncc1
InChIInChI=1S/C12H21N3O/c1-3-16-12(8-13)10-15(2)9-11-4-6-14-7-5-11/h4-7,12H,3,8-10,13H2,1-2H3
InChIKeyRHNWXCYJSHFGPZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.88
Rot. Bonds7

About 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 63069655) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID63069655
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)Cc1ccncc1
InChIInChI=1S/C12H21N3O/c1-3-16-12(8-13)10-15(2)9-11-4-6-14-7-5-11/h4-7,12H,3,8-10,13H2,1-2H3
InChIKeyRHNWXCYJSHFGPZ-UHFFFAOYSA-N
XLogP0.88
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 55146279
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 106114657
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
CID 63070797
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 81070672
2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 63069655) is 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is CCOC(CN)CN(C)Cc1ccncc1.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is RHNWXCYJSHFGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-16-12(8-13)10-15(2)9-11-4-6-14-7-5-11/h4-7,12H,3,8-10,13H2,1-2H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63069655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).