2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine

C16H26N2O — CID 114470537

IUPAC2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1ccc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C16H26N2O/c1-12(2)9-10-19-15-8-7-14(13(3)18-15)11-17-16(4,5)6/h7-8,17H,1,9-11H2,2-6H3
InChIKeyDTHYGVKIUFMVNI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.62
Rot. Bonds6

About 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 114470537) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID114470537
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1ccc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C16H26N2O/c1-12(2)9-10-19-15-8-7-14(13(3)18-15)11-17-16(4,5)6/h7-8,17H,1,9-11H2,2-6H3
InChIKeyDTHYGVKIUFMVNI-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
2-methyl-N-[[2-methyl-6-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285420
2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
CID 114470486
N-[[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114471631
N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
CID 114470605
2-methyl-N-[[5-(3-methylbut-3-enoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 114470615
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
CID 114471298
N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470514
3-(chloromethyl)-2-methyl-6-(3,3,3-trifluoropropoxy)pyridine
CID 82955311
N-[[6-(2-cyclobutylethoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 106205525
2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine
CID 105351341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine (CID 114470537) is 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine is C=C(C)CCOc1ccc(CNC(C)(C)C)c(C)n1.
What is the InChIKey of 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is DTHYGVKIUFMVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-10-19-15-8-7-14(13(3)18-15)11-17-16(4,5)6/h7-8,17H,1,9-11H2,2-6H3.
What are the key properties of 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114470537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).