1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol

C11H19N3O — CID 115345867

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol
SMILESCc1cnc(N)c(C(O)CCN(C)C)c1
InChIInChI=1S/C11H19N3O/c1-8-6-9(11(12)13-7-8)10(15)4-5-14(2)3/h6-7,10,15H,4-5H2,1-3H3,(H2,12,13)
InChIKeyWKXBGEBTSUGLTP-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.96
Rot. Bonds4

About 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol

1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol (PubChem CID 115345867) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol
PubChem CID115345867
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol
SMILESCc1cnc(N)c(C(O)CCN(C)C)c1
InChIInChI=1S/C11H19N3O/c1-8-6-9(11(12)13-7-8)10(15)4-5-14(2)3/h6-7,10,15H,4-5H2,1-3H3,(H2,12,13)
InChIKeyWKXBGEBTSUGLTP-UHFFFAOYSA-N
XLogP0.96
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
CID 66046118
1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092617
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
3-(1-hydrazinylbutyl)-5-methylpyridin-2-amine
CID 105202307
1-(2-amino-5-methyl-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414904
3-(1-hydrazinylpropyl)-5-methylpyridin-2-amine
CID 105201163
3-(dimethylamino)-1-(3,5-dimethylphenyl)propan-1-ol
CID 115345859
1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451752
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
CID 55291746
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol (CID 115345867) is 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol is Cc1cnc(N)c(C(O)CCN(C)C)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is WKXBGEBTSUGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-6-9(11(12)13-7-8)10(15)4-5-14(2)3/h6-7,10,15H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol?
1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 115345867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).