2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine

C13H23N3O — CID 106252050

IUPAC2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccnc(OC)c1
InChIInChI=1S/C13H23N3O/c1-4-13(5-2,9-14)10-16-11-6-7-15-12(8-11)17-3/h6-8H,4-5,9-10,14H2,1-3H3,(H,15,16)
InChIKeyRTCDSZRDIVSNMR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.27
Rot. Bonds7

About 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine

2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine (PubChem CID 106252050) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
PubChem CID106252050
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ccnc(OC)c1
InChIInChI=1S/C13H23N3O/c1-4-13(5-2,9-14)10-16-11-6-7-15-12(8-11)17-3/h6-8H,4-5,9-10,14H2,1-3H3,(H,15,16)
InChIKeyRTCDSZRDIVSNMR-UHFFFAOYSA-N
XLogP2.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106145654
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357770
2,2-diethyl-N'-(6-methoxypyrazin-2-yl)propane-1,3-diamine
CID 106251654
2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 106251859
N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine
CID 106252961
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxypyridin-4-amine
CID 114180523
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159402

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine (CID 106252050) is 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine is CCC(CC)(CN)CNc1ccnc(OC)c1.
What is the InChIKey of 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine?
The InChIKey is RTCDSZRDIVSNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(5-2,9-14)10-16-11-6-7-15-12(8-11)17-3/h6-8H,4-5,9-10,14H2,1-3H3,(H,15,16).
What are the key properties of 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine?
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 106252050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).