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

C16H26N2O — CID 81250974

IUPAC2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCOc1cc(C)ncc1CNCC(C)C
InChIInChI=1S/C16H26N2O/c1-5-6-7-8-19-16-9-14(4)18-12-15(16)11-17-10-13(2)3/h5,9,12-13,17H,1,6-8,10-11H2,2-4H3
InChIKeyZGMMHFZVAARRMU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.48
Rot. Bonds9

About 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine

2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 81250974) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID81250974
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
SMILESC=CCCCOc1cc(C)ncc1CNCC(C)C
InChIInChI=1S/C16H26N2O/c1-5-6-7-8-19-16-9-14(4)18-12-15(16)11-17-10-13(2)3/h5,9,12-13,17H,1,6-8,10-11H2,2-4H3
InChIKeyZGMMHFZVAARRMU-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.48
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-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250411
N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253479
2-methyl-N-[[6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115942783
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
2-methyl-N-[(6-methyl-4-phenylmethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81255067
N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 81254967
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
2-methyl-N-[[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253703
N-methyl-1-[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81254987
N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340214
N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81334032
2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81255353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine (CID 81250974) is 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine is C=CCCCOc1cc(C)ncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is ZGMMHFZVAARRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-6-7-8-19-16-9-14(4)18-12-15(16)11-17-10-13(2)3/h5,9,12-13,17H,1,6-8,10-11H2,2-4H3.
What are the key properties of 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine?
2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 81250974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).