1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol

C16H28N2O3 — CID 79157906

IUPAC1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
SMILESCCCNCc1nc(C)ccc1OCC(O)COC(C)C
InChIInChI=1S/C16H28N2O3/c1-5-8-17-9-15-16(7-6-13(4)18-15)21-11-14(19)10-20-12(2)3/h6-7,12,14,17,19H,5,8-11H2,1-4H3
InChIKeyINTZCLBCYRPCKM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.05
Rot. Bonds10

About 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol

1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol (PubChem CID 79157906) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
PubChem CID79157906
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
SMILESCCCNCc1nc(C)ccc1OCC(O)COC(C)C
InChIInChI=1S/C16H28N2O3/c1-5-8-17-9-15-16(7-6-13(4)18-15)21-11-14(19)10-20-12(2)3/h6-7,12,14,17,19H,5,8-11H2,1-4H3
InChIKeyINTZCLBCYRPCKM-UHFFFAOYSA-N
XLogP2.05
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79158885
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
1-[4-bromo-2-(propylaminomethyl)phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63989658
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715

Frequently Asked Questions

What is the IUPAC name of 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol (CID 79157906) is 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol is CCCNCc1nc(C)ccc1OCC(O)COC(C)C.
What is the InChIKey of 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
The InChIKey is INTZCLBCYRPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-8-17-9-15-16(7-6-13(4)18-15)21-11-14(19)10-20-12(2)3/h6-7,12,14,17,19H,5,8-11H2,1-4H3.
What are the key properties of 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 79157906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).