3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol

C11H18N2O — CID 115888360

IUPAC3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol
SMILESCc1ccncc1C(C)NCCCO
InChIInChI=1S/C11H18N2O/c1-9-4-6-12-8-11(9)10(2)13-5-3-7-14/h4,6,8,10,13-14H,3,5,7H2,1-2H3
InChIKeyMVPOYNYIRMOFAE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.42
Rot. Bonds5

About 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol

3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol (PubChem CID 115888360) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol
PubChem CID115888360
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol
SMILESCc1ccncc1C(C)NCCCO
InChIInChI=1S/C11H18N2O/c1-9-4-6-12-8-11(9)10(2)13-5-3-7-14/h4,6,8,10,13-14H,3,5,7H2,1-2H3
InChIKeyMVPOYNYIRMOFAE-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115888378
3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride
CID 142243658
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
CID 106840594
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol?
The IUPAC name of 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol (CID 115888360) is 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol is Cc1ccncc1C(C)NCCCO.
What is the InChIKey of 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol?
The InChIKey is MVPOYNYIRMOFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-4-6-12-8-11(9)10(2)13-5-3-7-14/h4,6,8,10,13-14H,3,5,7H2,1-2H3.
What are the key properties of 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol?
3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol is sourced from PubChem (CID 115888360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).