1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine

C11H16N2O — CID 81254371

IUPAC1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine
SMILESC=CCCOc1ccncc1CNC
InChIInChI=1S/C11H16N2O/c1-3-4-7-14-11-5-6-13-9-10(11)8-12-2/h3,5-6,9,12H,1,4,7-8H2,2H3
InChIKeyPIXARPBAWANJLE-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.76
Rot. Bonds6

About 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine

1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 81254371) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID81254371
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine
SMILESC=CCCOc1ccncc1CNC
InChIInChI=1S/C11H16N2O/c1-3-4-7-14-11-5-6-13-9-10(11)8-12-2/h3,5-6,9,12H,1,4,7-8H2,2H3
InChIKeyPIXARPBAWANJLE-UHFFFAOYSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
(3-but-3-enoxy-4-pyridinyl)methanol
CID 105067106
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine
CID 81250555
1-[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 81251244
1-(5-but-3-enoxy-2-pyridinyl)-N-methylmethanamine
CID 79775770
1-(6-but-3-enoxypyridazin-3-yl)-N-methylmethanamine
CID 62289698
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250713

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine (CID 81254371) is 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine is C=CCCOc1ccncc1CNC.
What is the InChIKey of 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is PIXARPBAWANJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-7-14-11-5-6-13-9-10(11)8-12-2/h3,5-6,9,12H,1,4,7-8H2,2H3.
What are the key properties of 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine?
1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 81254371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).