2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine

C15H24N2O — CID 114470489

IUPAC2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESC=C(C)CCOc1cc(CNCC(C)C)ccn1
InChIInChI=1S/C15H24N2O/c1-12(2)6-8-18-15-9-14(5-7-17-15)11-16-10-13(3)4/h5,7,9,13,16H,1,6,8,10-11H2,2-4H3
InChIKeyHPGXHLFDWBTBBV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds8

About 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114470489) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID114470489
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESC=C(C)CCOc1cc(CNCC(C)C)ccn1
InChIInChI=1S/C15H24N2O/c1-12(2)6-8-18-15-9-14(5-7-17-15)11-16-10-13(3)4/h5,7,9,13,16H,1,6,8,10-11H2,2-4H3
InChIKeyHPGXHLFDWBTBBV-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

2-methyl-N-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62291047
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292365
2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 114470549
N-[[3,5-dibromo-4-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107744383
N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296075
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N-[[2-(2-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323227
2-methyl-N-[[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 63647549
N-[[2-(2-bromo-4-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322021
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
N-methyl-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine (CID 114470489) is 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine is C=C(C)CCOc1cc(CNCC(C)C)ccn1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is HPGXHLFDWBTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)6-8-18-15-9-14(5-7-17-15)11-16-10-13(3)4/h5,7,9,13,16H,1,6,8,10-11H2,2-4H3.
What are the key properties of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-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-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114470489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).