[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine

C12H20N2O2 — CID 112589639

IUPAC[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
SMILESCC(C)(C)OCCOc1ccncc1CN
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-7-6-15-11-4-5-14-9-10(11)8-13/h4-5,9H,6-8,13H2,1-3H3
InChIKeyHIELQPCOCMDRQY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.73
Rot. Bonds5

About [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine

[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine (PubChem CID 112589639) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
PubChem CID112589639
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
SMILESCC(C)(C)OCCOc1ccncc1CN
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-7-6-15-11-4-5-14-9-10(11)8-13/h4-5,9H,6-8,13H2,1-3H3
InChIKeyHIELQPCOCMDRQY-UHFFFAOYSA-N
XLogP1.73
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81255354
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
CID 105067216
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
[5-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112586997
[4-(2-phenylmethoxyethoxy)-3-pyridinyl]methanamine
CID 132587694
[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
CID 81253366
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 136925054
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 112587792
[4-[(1-methylcyclobutyl)methoxy]-3-pyridinyl]methanamine
CID 132587623
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine?
The IUPAC name of [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine (CID 112589639) is [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine is CC(C)(C)OCCOc1ccncc1CN.
What is the InChIKey of [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine?
The InChIKey is HIELQPCOCMDRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)16-7-6-15-11-4-5-14-9-10(11)8-13/h4-5,9H,6-8,13H2,1-3H3.
What are the key properties of [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine?
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine has a molecular weight of 224.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 112589639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).