3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine

C13H23N3O — CID 116726937

IUPAC3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
SMILESCCNC(c1cnccc1N)C(C)(C)OCC
InChIInChI=1S/C13H23N3O/c1-5-16-12(13(3,4)17-6-2)10-9-15-8-7-11(10)14/h7-9,12,16H,5-6H2,1-4H3,(H2,14,15)
InChIKeyIIDLQPQVPXJCGQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.13
Rot. Bonds6

About 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine

3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine (PubChem CID 116726937) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
PubChem CID116726937
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
SMILESCCNC(c1cnccc1N)C(C)(C)OCC
InChIInChI=1S/C13H23N3O/c1-5-16-12(13(3,4)17-6-2)10-9-15-8-7-11(10)14/h7-9,12,16H,5-6H2,1-4H3,(H2,14,15)
InChIKeyIIDLQPQVPXJCGQ-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-1-hydrazinyl-2-methylpropyl)pyridin-4-amine
CID 105274050
2-ethoxy-N-ethyl-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 116726790
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
CID 116760962
3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
CID 116660865
3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine
CID 79712859
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
CID 116764129
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
CID 106815087
3-[2-(dimethylamino)-2-ethyl-1-hydrazinylbutyl]pyridin-4-amine
CID 105241711
3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
CID 103475792

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine?
The IUPAC name of 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine (CID 116726937) is 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine?
The canonical SMILES for 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine is CCNC(c1cnccc1N)C(C)(C)OCC.
What is the InChIKey of 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine?
The InChIKey is IIDLQPQVPXJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-16-12(13(3,4)17-6-2)10-9-15-8-7-11(10)14/h7-9,12,16H,5-6H2,1-4H3,(H2,14,15).
What are the key properties of 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine?
3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine is sourced from PubChem (CID 116726937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).