[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine

C12H20N2O — CID 62292280

IUPAC[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
SMILESCC(C)CC(C)Oc1ccnc(CN)c1
InChIInChI=1S/C12H20N2O/c1-9(2)6-10(3)15-12-4-5-14-11(7-12)8-13/h4-5,7,9-10H,6,8,13H2,1-3H3
InChIKeyWEGJSMDKCACJRR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.35
Rot. Bonds5

About [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine

[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine (PubChem CID 62292280) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
PubChem CID62292280
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
SMILESCC(C)CC(C)Oc1ccnc(CN)c1
InChIInChI=1S/C12H20N2O/c1-9(2)6-10(3)15-12-4-5-14-11(7-12)8-13/h4-5,7,9-10H,6,8,13H2,1-3H3
InChIKeyWEGJSMDKCACJRR-UHFFFAOYSA-N
XLogP2.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)-2-pyridinyl]methanamine
CID 130046959
[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62296126
[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
CID 105390800
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
CID 83127037
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
1-methoxy-3-(4-methylpentan-2-yloxy)benzene
CID 102109501
4-[(2R)-1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204612
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]propan-1-amine
CID 112584730
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine (CID 62292280) is [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine is CC(C)CC(C)Oc1ccnc(CN)c1.
What is the InChIKey of [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine?
The InChIKey is WEGJSMDKCACJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)6-10(3)15-12-4-5-14-11(7-12)8-13/h4-5,7,9-10H,6,8,13H2,1-3H3.
What are the key properties of [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine?
[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine has a molecular weight of 208.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62292280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).