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

C14H22N2O — CID 79151149

IUPACN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESC=CCCOc1ccc(C)nc1CNCCC
InChIInChI=1S/C14H22N2O/c1-4-6-10-17-14-8-7-12(3)16-13(14)11-15-9-5-2/h4,7-8,15H,1,5-6,9-11H2,2-3H3
InChIKeyYMLLRNKFBFGETH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.84
Rot. Bonds8

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

N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 79151149) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID79151149
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESC=CCCOc1ccc(C)nc1CNCCC
InChIInChI=1S/C14H22N2O/c1-4-6-10-17-14-8-7-12(3)16-13(14)11-15-9-5-2/h4,7-8,15H,1,5-6,9-11H2,2-3H3
InChIKeyYMLLRNKFBFGETH-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 79151520
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79158142
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
N-[(6-but-3-enoxy-3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 62289677
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157744

Frequently Asked Questions

What is the IUPAC name of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine (CID 79151149) is N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine is C=CCCOc1ccc(C)nc1CNCCC.
What is the InChIKey of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is YMLLRNKFBFGETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-10-17-14-8-7-12(3)16-13(14)11-15-9-5-2/h4,7-8,15H,1,5-6,9-11H2,2-3H3.
What are the key properties of N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine?
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 79151149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).