[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine

C11H18N2O — CID 81253366

IUPAC[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
SMILESCCC(C)(C)Oc1ccncc1CN
InChIInChI=1S/C11H18N2O/c1-4-11(2,3)14-10-5-6-13-8-9(10)7-12/h5-6,8H,4,7,12H2,1-3H3
InChIKeyOESSRSUDBHPUQW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.11
Rot. Bonds4

About [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine

[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine (PubChem CID 81253366) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
PubChem CID81253366
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
SMILESCCC(C)(C)Oc1ccncc1CN
InChIInChI=1S/C11H18N2O/c1-4-11(2,3)14-10-5-6-13-8-9(10)7-12/h5-6,8H,4,7,12H2,1-3H3
InChIKeyOESSRSUDBHPUQW-UHFFFAOYSA-N
XLogP2.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272
[4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81255354
2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
CID 84676768
[4-(2,3-dimethylphenoxy)-3-pyridinyl]methanamine
CID 81250207
1-ethyl-2-(2-methylbutan-2-yloxy)benzene
CID 13132255
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine
CID 132587623
[4-(2-methylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 81254856

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine (CID 81253366) is [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine is CCC(C)(C)Oc1ccncc1CN.
What is the InChIKey of [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine?
The InChIKey is OESSRSUDBHPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-11(2,3)14-10-5-6-13-8-9(10)7-12/h5-6,8H,4,7,12H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine?
[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81253366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).