3-(methylamino)-3-pyridin-3-ylpropan-1-ol

C9H14N2O — CID 64815324

IUPAC3-(methylamino)-3-pyridin-3-ylpropan-1-ol
SMILESCNC(CCO)c1cccnc1
InChIInChI=1S/C9H14N2O/c1-10-9(4-6-12)8-3-2-5-11-7-8/h2-3,5,7,9-10,12H,4,6H2,1H3
InChIKeyHESHEVMCRMMRDJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.72
Rot. Bonds4

About 3-(methylamino)-3-pyridin-3-ylpropan-1-ol

3-(methylamino)-3-pyridin-3-ylpropan-1-ol (PubChem CID 64815324) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(methylamino)-3-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-3-pyridin-3-ylpropan-1-ol
PubChem CID64815324
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(methylamino)-3-pyridin-3-ylpropan-1-ol
SMILESCNC(CCO)c1cccnc1
InChIInChI=1S/C9H14N2O/c1-10-9(4-6-12)8-3-2-5-11-7-8/h2-3,5,7,9-10,12H,4,6H2,1H3
InChIKeyHESHEVMCRMMRDJ-UHFFFAOYSA-N
XLogP0.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-3-pyridin-3-ylpropane-1-thiol
CID 116831467
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
3-pyridin-3-ylbutan-1-ol
CID 23506282
3-(1-pyridin-3-ylbutylamino)butan-1-ol
CID 104582590
3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 103149460
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 65477287
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-(methylamino)-3-pyridin-3-ylpropan-1-ol (CID 64815324) is 3-(methylamino)-3-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-(methylamino)-3-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-(methylamino)-3-pyridin-3-ylpropan-1-ol is CNC(CCO)c1cccnc1.
What is the InChIKey of 3-(methylamino)-3-pyridin-3-ylpropan-1-ol?
The InChIKey is HESHEVMCRMMRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-10-9(4-6-12)8-3-2-5-11-7-8/h2-3,5,7,9-10,12H,4,6H2,1H3.
What are the key properties of 3-(methylamino)-3-pyridin-3-ylpropan-1-ol?
3-(methylamino)-3-pyridin-3-ylpropan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 64815324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).