1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol

C14H25N3O — CID 63306471

IUPAC1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ncccc1C
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)11-13(18)9-15-10-14-12(3)7-6-8-16-14/h6-8,13,15,18H,4-5,9-11H2,1-3H3
InChIKeyKXLAODKXQVPKRP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.18
Rot. Bonds8

About 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol

1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol (PubChem CID 63306471) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
PubChem CID63306471
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ncccc1C
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)11-13(18)9-15-10-14-12(3)7-6-8-16-14/h6-8,13,15,18H,4-5,9-11H2,1-3H3
InChIKeyKXLAODKXQVPKRP-UHFFFAOYSA-N
XLogP1.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpentoxy)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
CID 63306347
2,2-dicyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112650218
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
methyl 2-bromo-3-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 103251194
1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
CID 63306680
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 107320423
1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81176957
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
CID 81419845
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol (CID 63306471) is 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol is CCN(CC)CC(O)CNCc1ncccc1C.
What is the InChIKey of 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol?
The InChIKey is KXLAODKXQVPKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17(5-2)11-13(18)9-15-10-14-12(3)7-6-8-16-14/h6-8,13,15,18H,4-5,9-11H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol?
1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 63306471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).