N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine

C16H28N2O2 — CID 106449501

IUPACN-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(OCCOCC(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-12(2)11-19-6-7-20-16-9-15(8-14(5)18-16)10-17-13(3)4/h8-9,12-13,17H,6-7,10-11H2,1-5H3
InChIKeyQWQCGJKRWOYTRI-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.94
Rot. Bonds9

About N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine

N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 106449501) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
PubChem CID106449501
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(OCCOCC(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-12(2)11-19-6-7-20-16-9-15(8-14(5)18-16)10-17-13(3)4/h8-9,12-13,17H,6-7,10-11H2,1-5H3
InChIKeyQWQCGJKRWOYTRI-UHFFFAOYSA-N
XLogP2.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine (CID 106449501) is N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cc(OCCOCC(C)C)n1.
What is the InChIKey of N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is QWQCGJKRWOYTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)11-19-6-7-20-16-9-15(8-14(5)18-16)10-17-13(3)4/h8-9,12-13,17H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine?
N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 280.41 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106449501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).