6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol

C14H24N2O2 — CID 78928982

IUPAC6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCOCCC(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-11(2)6-8-18-9-7-15-10-13-14(17)5-4-12(3)16-13/h4-5,11,15,17H,6-10H2,1-3H3
InChIKeySPWJWQHYDMUSBR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.25
Rot. Bonds8

About 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol

6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol (PubChem CID 78928982) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol
PubChem CID78928982
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCOCCC(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-11(2)6-8-18-9-7-15-10-13-14(17)5-4-12(3)16-13/h4-5,11,15,17H,6-10H2,1-3H3
InChIKeySPWJWQHYDMUSBR-UHFFFAOYSA-N
XLogP2.25
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
6-methyl-2-[(3-phenylbutylamino)methyl]pyridin-3-ol
CID 78928923
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
CID 79033166
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
CID 103645101
2-[(ethoxyamino)methyl]-6-methylpyridin-3-ol
CID 82710489
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527
6-methyl-2-[(pent-3-ynylamino)methyl]pyridin-3-ol
CID 116643034
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 78928633
6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol (CID 78928982) is 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNCCOCCC(C)C)n1.
What is the InChIKey of 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol?
The InChIKey is SPWJWQHYDMUSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)6-8-18-9-7-15-10-13-14(17)5-4-12(3)16-13/h4-5,11,15,17H,6-10H2,1-3H3.
What are the key properties of 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol?
6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol has a molecular weight of 252.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 78928982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).