(2-but-3-enoxy-3-pyridinyl)methanamine

C10H14N2O — CID 62289505

IUPAC(2-but-3-enoxy-3-pyridinyl)methanamine
SMILESC=CCCOc1ncccc1CN
InChIInChI=1S/C10H14N2O/c1-2-3-7-13-10-9(8-11)5-4-6-12-10/h2,4-6H,1,3,7-8,11H2
InChIKeySDXISYBROFOXIZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.50
Rot. Bonds5

About (2-but-3-enoxy-3-pyridinyl)methanamine

(2-but-3-enoxy-3-pyridinyl)methanamine (PubChem CID 62289505) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (2-but-3-enoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-but-3-enoxy-3-pyridinyl)methanamine
PubChem CID62289505
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(2-but-3-enoxy-3-pyridinyl)methanamine
SMILESC=CCCOc1ncccc1CN
InChIInChI=1S/C10H14N2O/c1-2-3-7-13-10-9(8-11)5-4-6-12-10/h2,4-6H,1,3,7-8,11H2
InChIKeySDXISYBROFOXIZ-UHFFFAOYSA-N
XLogP1.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.50
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-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 28994806
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
(5-but-3-enoxypyrazin-2-yl)methanamine
CID 107381324
[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828121
[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine
CID 117045767
4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
CID 117096825
3-prop-2-enylpyridin-2-amine
CID 22022139
2-bromo-1,3-bis(but-3-enoxy)benzene
CID 11077332
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510

Frequently Asked Questions

What is the IUPAC name of (2-but-3-enoxy-3-pyridinyl)methanamine?
The IUPAC name of (2-but-3-enoxy-3-pyridinyl)methanamine (CID 62289505) is (2-but-3-enoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (2-but-3-enoxy-3-pyridinyl)methanamine?
The canonical SMILES for (2-but-3-enoxy-3-pyridinyl)methanamine is C=CCCOc1ncccc1CN.
What is the InChIKey of (2-but-3-enoxy-3-pyridinyl)methanamine?
The InChIKey is SDXISYBROFOXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-7-13-10-9(8-11)5-4-6-12-10/h2,4-6H,1,3,7-8,11H2.
What are the key properties of (2-but-3-enoxy-3-pyridinyl)methanamine?
(2-but-3-enoxy-3-pyridinyl)methanamine has a molecular weight of 178.23 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-enoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 62289505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).