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

C13H23N3O — CID 63071613

IUPAC2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
SMILESCCOC(CN)CCN(C)Cc1cccnc1
InChIInChI=1S/C13H23N3O/c1-3-17-13(9-14)6-8-16(2)11-12-5-4-7-15-10-12/h4-5,7,10,13H,3,6,8-9,11,14H2,1-2H3
InChIKeyUOZKNKNDDYDYCD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.27
Rot. Bonds8

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

2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine (PubChem CID 63071613) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
PubChem CID63071613
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
SMILESCCOC(CN)CCN(C)Cc1cccnc1
InChIInChI=1S/C13H23N3O/c1-3-17-13(9-14)6-8-16(2)11-12-5-4-7-15-10-12/h4-5,7,10,13H,3,6,8-9,11,14H2,1-2H3
InChIKeyUOZKNKNDDYDYCD-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

2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62628732
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine (CID 63071613) is 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine is CCOC(CN)CCN(C)Cc1cccnc1.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
The InChIKey is UOZKNKNDDYDYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-17-13(9-14)6-8-16(2)11-12-5-4-7-15-10-12/h4-5,7,10,13H,3,6,8-9,11,14H2,1-2H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-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'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 63071613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).