[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine

C11H16N2O — CID 114470522

IUPAC[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
SMILESC=C(C)CCOc1cc(CN)ccn1
InChIInChI=1S/C11H16N2O/c1-9(2)4-6-14-11-7-10(8-12)3-5-13-11/h3,5,7H,1,4,6,8,12H2,2H3
InChIKeyBGLZOGYQPKSMPW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.89
Rot. Bonds5

About [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine

[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine (PubChem CID 114470522) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
PubChem CID114470522
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
SMILESC=C(C)CCOc1cc(CN)ccn1
InChIInChI=1S/C11H16N2O/c1-9(2)4-6-14-11-7-10(8-12)3-5-13-11/h3,5,7H,1,4,6,8,12H2,2H3
InChIKeyBGLZOGYQPKSMPW-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 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 ≤ 51.89
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-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114470489
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471375
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
CID 114471298
[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
CID 66689440
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
[6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
CID 114471277
[2-[3-(1H-1,2,4-triazol-5-yl)propoxy]-4-pyridinyl]methanamine
CID 143448905
(2-propoxy-4-pyridinyl)methanol
CID 61256143
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
[2-(1-phenylethoxy)-4-pyridinyl]methanamine
CID 18071091

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine (CID 114470522) is [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine is C=C(C)CCOc1cc(CN)ccn1.
What is the InChIKey of [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
The InChIKey is BGLZOGYQPKSMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(2)4-6-14-11-7-10(8-12)3-5-13-11/h3,5,7H,1,4,6,8,12H2,2H3.
What are the key properties of [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine?
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 114470522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).