3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine

C13H23N3O — CID 116760962

IUPAC3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
SMILESCCC(CC)(OC)C(NC)c1cnccc1N
InChIInChI=1S/C13H23N3O/c1-5-13(6-2,17-4)12(15-3)10-9-16-8-7-11(10)14/h7-9,12,15H,5-6H2,1-4H3,(H2,14,16)
InChIKeyLWJVLYWKRGUQIM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.13
Rot. Bonds6

About 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine

3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine (PubChem CID 116760962) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
PubChem CID116760962
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
SMILESCCC(CC)(OC)C(NC)c1cnccc1N
InChIInChI=1S/C13H23N3O/c1-5-13(6-2,17-4)12(15-3)10-9-16-8-7-11(10)14/h7-9,12,15H,5-6H2,1-4H3,(H2,14,16)
InChIKeyLWJVLYWKRGUQIM-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-(dimethylamino)-2-ethyl-1-hydrazinylbutyl]pyridin-4-amine
CID 105241711
3-(2-ethoxy-1-hydrazinyl-2-methylpropyl)pyridin-4-amine
CID 105274050
3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 116726937
3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
CID 116724573
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]-4-methylpyridin-2-amine
CID 116760734
3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
CID 116720111
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087902
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine?
The IUPAC name of 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine (CID 116760962) is 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine?
The canonical SMILES for 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine is CCC(CC)(OC)C(NC)c1cnccc1N.
What is the InChIKey of 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine?
The InChIKey is LWJVLYWKRGUQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-13(6-2,17-4)12(15-3)10-9-16-8-7-11(10)14/h7-9,12,15H,5-6H2,1-4H3,(H2,14,16).
What are the key properties of 3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine?
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]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-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine is sourced from PubChem (CID 116760962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).