(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol

C10H16N2O — CID 167984285

IUPAC(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
SMILESCc1cncc(CN[C@@H](C)CO)c1
InChIInChI=1S/C10H16N2O/c1-8-3-10(5-11-4-8)6-12-9(2)7-13/h3-5,9,12-13H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyPIOGQDKRWFFSQD-VIFPVBQESA-N
MW180.25 g/mol
LogP0.86
Rot. Bonds4

About (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol

(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol (PubChem CID 167984285) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
PubChem CID167984285
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
SMILESCc1cncc(CN[C@@H](C)CO)c1
InChIInChI=1S/C10H16N2O/c1-8-3-10(5-11-4-8)6-12-9(2)7-13/h3-5,9,12-13H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyPIOGQDKRWFFSQD-VIFPVBQESA-N
XLogP0.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine
CID 102881066
3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 103905637
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
N-[(5-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 113349294
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102794730
2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol (CID 167984285) is (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol is Cc1cncc(CN[C@@H](C)CO)c1.
What is the InChIKey of (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol?
The InChIKey is PIOGQDKRWFFSQD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-3-10(5-11-4-8)6-12-9(2)7-13/h3-5,9,12-13H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol?
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol is sourced from PubChem (CID 167984285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).