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

C13H20N2O — CID 62289325

IUPAC2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
SMILESC=CCOc1cccc(CNCC(C)C)n1
InChIInChI=1S/C13H20N2O/c1-4-8-16-13-7-5-6-12(15-13)10-14-9-11(2)3/h4-7,11,14H,1,8-10H2,2-3H3
InChIKeyWDOVXEUCIPQYRW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.39
Rot. Bonds7

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

2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine (PubChem CID 62289325) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
PubChem CID62289325
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
SMILESC=CCOc1cccc(CNCC(C)C)n1
InChIInChI=1S/C13H20N2O/c1-4-8-16-13-7-5-6-12(15-13)10-14-9-11(2)3/h4-7,11,14H,1,8-10H2,2-3H3
InChIKeyWDOVXEUCIPQYRW-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.39
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-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 114470549
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
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-[(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-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601212
N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376
2-methyl-N-[[6-(oxolan-3-yloxy)-2-pyridinyl]methyl]propan-1-amine
CID 63557509
1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine
CID 76938374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine (CID 62289325) is 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine is C=CCOc1cccc(CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is WDOVXEUCIPQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-8-16-13-7-5-6-12(15-13)10-14-9-11(2)3/h4-7,11,14H,1,8-10H2,2-3H3.
What are the key properties of 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine?
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62289325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).