[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine

C13H22N2O2 — CID 61174976

IUPAC[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(OCCOC(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-9(2)16-5-6-17-13-12(8-14)10(3)7-11(4)15-13/h7,9H,5-6,8,14H2,1-4H3
InChIKeyGKIVAOYUJVTLLZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.96
Rot. Bonds6

About [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine

[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine (PubChem CID 61174976) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine
PubChem CID61174976
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(OCCOC(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-9(2)16-5-6-17-13-12(8-14)10(3)7-11(4)15-13/h7,9H,5-6,8,14H2,1-4H3
InChIKeyGKIVAOYUJVTLLZ-UHFFFAOYSA-N
XLogP1.96
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine (CID 61174976) is [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(OCCOC(C)C)n1.
What is the InChIKey of [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine?
The InChIKey is GKIVAOYUJVTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)16-5-6-17-13-12(8-14)10(3)7-11(4)15-13/h7,9H,5-6,8,14H2,1-4H3.
What are the key properties of [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 61174976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).