2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine

C15H24N2O — CID 114470549

IUPAC2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESC=C(C)CCOc1cccc(CNCC(C)C)n1
InChIInChI=1S/C15H24N2O/c1-12(2)8-9-18-15-7-5-6-14(17-15)11-16-10-13(3)4/h5-7,13,16H,1,8-11H2,2-4H3
InChIKeyRZGNGTLDEGWQBY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds8

About 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 114470549) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID114470549
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESC=C(C)CCOc1cccc(CNCC(C)C)n1
InChIInChI=1S/C15H24N2O/c1-12(2)8-9-18-15-7-5-6-14(17-15)11-16-10-13(3)4/h5-7,13,16H,1,8-11H2,2-4H3
InChIKeyRZGNGTLDEGWQBY-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
CID 114470605
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114470489
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
CID 62289501
2-methyl-N-[[6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322968
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine (CID 114470549) is 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine is C=C(C)CCOc1cccc(CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is RZGNGTLDEGWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)8-9-18-15-7-5-6-14(17-15)11-16-10-13(3)4/h5-7,13,16H,1,8-11H2,2-4H3.
What are the key properties of 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114470549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).