N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine

C15H24N2O — CID 81250411

IUPACN-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCOc1cc(C)ncc1CNCCC
InChIInChI=1S/C15H24N2O/c1-4-6-7-9-18-15-10-13(3)17-12-14(15)11-16-8-5-2/h4,10,12,16H,1,5-9,11H2,2-3H3
InChIKeyDCSPZMDVJGEXAO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.23
Rot. Bonds9

About N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine

N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 81250411) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID81250411
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCOc1cc(C)ncc1CNCCC
InChIInChI=1S/C15H24N2O/c1-4-6-7-9-18-15-10-13(3)17-12-14(15)11-16-8-5-2/h4,10,12,16H,1,5-9,11H2,2-3H3
InChIKeyDCSPZMDVJGEXAO-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.23
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

2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250974
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82792176
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 81254967
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
CID 114928877
N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254026
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 107006122
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine (CID 81250411) is N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine is C=CCCCOc1cc(C)ncc1CNCCC.
What is the InChIKey of N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is DCSPZMDVJGEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-7-9-18-15-10-13(3)17-12-14(15)11-16-8-5-2/h4,10,12,16H,1,5-9,11H2,2-3H3.
What are the key properties of N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 81250411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).