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

C12H21N3O — CID 106114657

IUPACN'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCN(Cc1ccncc1)CC(CN)OC
InChIInChI=1S/C12H21N3O/c1-3-15(10-12(8-13)16-2)9-11-4-6-14-7-5-11/h4-7,12H,3,8-10,13H2,1-2H3
InChIKeyQXODAAFMNKOSQB-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.88
Rot. Bonds7

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

N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 106114657) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID106114657
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCCN(Cc1ccncc1)CC(CN)OC
InChIInChI=1S/C12H21N3O/c1-3-15(10-12(8-13)16-2)9-11-4-6-14-7-5-11/h4-7,12H,3,8-10,13H2,1-2H3
InChIKeyQXODAAFMNKOSQB-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
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
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
2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63069655
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-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 107505531
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 N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 106114657) is N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is CCN(Cc1ccncc1)CC(CN)OC.
What is the InChIKey of N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is QXODAAFMNKOSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15(10-12(8-13)16-2)9-11-4-6-14-7-5-11/h4-7,12H,3,8-10,13H2,1-2H3.
What are the key properties of N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine?
N'-ethyl-2-methoxy-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 N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 106114657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).