1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol

C14H25N3O — CID 114056115

IUPAC1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
SMILESCCCNC(C)c1cccnc1N(C)CC(C)O
InChIInChI=1S/C14H25N3O/c1-5-8-15-12(3)13-7-6-9-16-14(13)17(4)10-11(2)18/h6-7,9,11-12,15,18H,5,8,10H2,1-4H3
InChIKeyXFEOSALBNIAJFR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.96
Rot. Bonds7

About 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol

1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 114056115) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
PubChem CID114056115
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
SMILESCCCNC(C)c1cccnc1N(C)CC(C)O
InChIInChI=1S/C14H25N3O/c1-5-8-15-12(3)13-7-6-9-16-14(13)17(4)10-11(2)18/h6-7,9,11-12,15,18H,5,8,10H2,1-4H3
InChIKeyXFEOSALBNIAJFR-UHFFFAOYSA-N
XLogP1.96
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 114056297
N-ethyl-2-[[3-(1-hydroxyethyl)-2-pyridinyl]-methylamino]acetamide
CID 114055927
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 114056940
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
CID 91651052
N,N-dimethyl-3-[(1R)-1-(methylamino)ethyl]pyridin-2-amine
CID 130631102
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
N-benzyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284092
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol (CID 114056115) is 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol is CCCNC(C)c1cccnc1N(C)CC(C)O.
What is the InChIKey of 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is XFEOSALBNIAJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-15-12(3)13-7-6-9-16-14(13)17(4)10-11(2)18/h6-7,9,11-12,15,18H,5,8,10H2,1-4H3.
What are the key properties of 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol?
1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 114056115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).