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

C11H18N2O — CID 80709131

IUPAC3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
SMILESCc1ccc(CNC(C)CCO)nc1
InChIInChI=1S/C11H18N2O/c1-9-3-4-11(13-7-9)8-12-10(2)5-6-14/h3-4,7,10,12,14H,5-6,8H2,1-2H3
InChIKeyMGUOAZLKUMZESG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds5

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

3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol (PubChem CID 80709131) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
PubChem CID80709131
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
SMILESCc1ccc(CNC(C)CCO)nc1
InChIInChI=1S/C11H18N2O/c1-9-3-4-11(13-7-9)8-12-10(2)5-6-14/h3-4,7,10,12,14H,5-6,8H2,1-2H3
InChIKeyMGUOAZLKUMZESG-UHFFFAOYSA-N
XLogP1.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine
CID 115699019
1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 80707990
N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine
CID 81312035
3-methyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoic acid
CID 81311715
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725
(1R,3R)-3-[(5-methyl-2-pyridinyl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 97329293
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
1-(2-fluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708851
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol (CID 80709131) is 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol is Cc1ccc(CNC(C)CCO)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol?
The InChIKey is MGUOAZLKUMZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-3-4-11(13-7-9)8-12-10(2)5-6-14/h3-4,7,10,12,14H,5-6,8H2,1-2H3.
What are the key properties of 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol?
3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 80709131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).