[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine

C15H26N2O3 — CID 103180842

IUPAC[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCOCCCOCCOc1cc(CN)cc(C(C)C)n1
InChIInChI=1S/C15H26N2O3/c1-12(2)14-9-13(11-16)10-15(17-14)20-8-7-19-6-4-5-18-3/h9-10,12H,4-8,11,16H2,1-3H3
InChIKeyHYRKRZZAHWBLOT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.10
Rot. Bonds10

About [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine

[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine (PubChem CID 103180842) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine
PubChem CID103180842
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCOCCCOCCOc1cc(CN)cc(C(C)C)n1
InChIInChI=1S/C15H26N2O3/c1-12(2)14-9-13(11-16)10-15(17-14)20-8-7-19-6-4-5-18-3/h9-10,12H,4-8,11,16H2,1-3H3
InChIKeyHYRKRZZAHWBLOT-UHFFFAOYSA-N
XLogP2.10
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dibromo-4-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 107741510
[6-[2-(3-methoxypropoxy)ethoxy]pyrazin-2-yl]methanamine
CID 103180853
4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564267
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965218
[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol
CID 103403974
[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methanamine
CID 102607865
N-[[2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 104566462
[2-[2-(3-methoxypropoxy)ethoxy]-4,6-dimethyl-3-pyridinyl]methanamine
CID 103176709
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
N-ethyl-4-[2-(3-methoxypropoxy)ethoxy]-6-methylpyrimidin-2-amine
CID 103176501
6-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176771

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine?
The IUPAC name of [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine (CID 103180842) is [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine?
The canonical SMILES for [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine is COCCCOCCOc1cc(CN)cc(C(C)C)n1.
What is the InChIKey of [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine?
The InChIKey is HYRKRZZAHWBLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)14-9-13(11-16)10-15(17-14)20-8-7-19-6-4-5-18-3/h9-10,12H,4-8,11,16H2,1-3H3.
What are the key properties of [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine?
[2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine has a molecular weight of 282.38 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxypropoxy)ethoxy]-6-propan-2-yl-4-pyridinyl]methanamine is sourced from PubChem (CID 103180842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).