1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine

C11H16N2O — CID 76938374

IUPAC1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine
SMILESCC=CCOc1cccc(CNC)n1
InChIInChI=1S/C11H16N2O/c1-3-4-8-14-11-7-5-6-10(13-11)9-12-2/h3-7,12H,8-9H2,1-2H3
InChIKeyUCAQQBGDWCVUTM-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.76
Rot. Bonds5

About 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine

1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine (PubChem CID 76938374) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine
PubChem CID76938374
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine
SMILESCC=CCOc1cccc(CNC)n1
InChIInChI=1S/C11H16N2O/c1-3-4-8-14-11-7-5-6-10(13-11)9-12-2/h3-7,12H,8-9H2,1-2H3
InChIKeyUCAQQBGDWCVUTM-UHFFFAOYSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.76
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

N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376
1-[6-(2-methoxyethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292157
N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
CID 114470605
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine
CID 80872267
1-[6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 62291688
1-[6-(2,3-dichlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62296347
1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298182
1-[6-(3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 55058939
N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine
CID 77134322
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325
N-methyl-1-(6-quinolin-8-yloxy-2-pyridinyl)methanamine
CID 62321854

Frequently Asked Questions

What is the IUPAC name of 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine (CID 76938374) is 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine is CC=CCOc1cccc(CNC)n1.
What is the InChIKey of 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine?
The InChIKey is UCAQQBGDWCVUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-8-14-11-7-5-6-10(13-11)9-12-2/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine?
1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 76938374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).