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

C13H23N3O — CID 55146279

IUPAC2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(CC)Cc1ccncc1
InChIInChI=1S/C13H23N3O/c1-3-16(11-13(9-14)17-4-2)10-12-5-7-15-8-6-12/h5-8,13H,3-4,9-11,14H2,1-2H3
InChIKeyPKKNMWGQQUUNMM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.27
Rot. Bonds8

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

2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 55146279) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID55146279
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCOC(CN)CN(CC)Cc1ccncc1
InChIInChI=1S/C13H23N3O/c1-3-16(11-13(9-14)17-4-2)10-12-5-7-15-8-6-12/h5-8,13H,3-4,9-11,14H2,1-2H3
InChIKeyPKKNMWGQQUUNMM-UHFFFAOYSA-N
XLogP1.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 106114657
2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63069655
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 63069854
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
N-[[4-(aminomethyl)phenyl]methyl]-2-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 23992654
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
CID 54948170
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62038864
1-(2,5-difluorophenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 107520253

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 55146279) is 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is CCOC(CN)CN(CC)Cc1ccncc1.
What is the InChIKey of 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is PKKNMWGQQUUNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16(11-13(9-14)17-4-2)10-12-5-7-15-8-6-12/h5-8,13H,3-4,9-11,14H2,1-2H3.
What are the key properties of 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 55146279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).