3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine

C13H23N3O — CID 79615875

IUPAC3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1c(C)ccnc1N)C(C)OC
InChIInChI=1S/C13H23N3O/c1-5-7-15-12(10(3)17-4)11-9(2)6-8-16-13(11)14/h6,8,10,12,15H,5,7H2,1-4H3,(H2,14,16)
InChIKeyUJJFGYSBJQAROV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.05
Rot. Bonds6

About 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine

3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine (PubChem CID 79615875) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine
PubChem CID79615875
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1c(C)ccnc1N)C(C)OC
InChIInChI=1S/C13H23N3O/c1-5-7-15-12(10(3)17-4)11-9(2)6-8-16-13(11)14/h6,8,10,12,15H,5,7H2,1-4H3,(H2,14,16)
InChIKeyUJJFGYSBJQAROV-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
CID 79493587
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 116765092
4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine
CID 65360572
3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 114886614
3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]-4-methylpyridin-2-amine
CID 116760734
1-(6-chloro-2,3-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 114275197
2-methoxy-1-(4-propoxyphenyl)-N-propylpropan-1-amine
CID 79617326
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
CID 107503949
1-(2,3-dihydrofuran-5-yl)-2-methoxy-N-propylpropan-1-amine
CID 102651913

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine (CID 79615875) is 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine is CCCNC(c1c(C)ccnc1N)C(C)OC.
What is the InChIKey of 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine?
The InChIKey is UJJFGYSBJQAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-15-12(10(3)17-4)11-9(2)6-8-16-13(11)14/h6,8,10,12,15H,5,7H2,1-4H3,(H2,14,16).
What are the key properties of 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine?
3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 79615875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).