2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

C16H28N2O2 — CID 61483713

IUPAC2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCC(C)CCOCCNCc1cccnc1OC(C)C
InChIInChI=1S/C16H28N2O2/c1-13(2)7-10-19-11-9-17-12-15-6-5-8-18-16(15)20-14(3)4/h5-6,8,13-14,17H,7,9-12H2,1-4H3
InChIKeyMPQBFNJNUDJPPY-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.02
Rot. Bonds10

About 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 61483713) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
PubChem CID61483713
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCC(C)CCOCCNCc1cccnc1OC(C)C
InChIInChI=1S/C16H28N2O2/c1-13(2)7-10-19-11-9-17-12-15-6-5-8-18-16(15)20-14(3)4/h5-6,8,13-14,17H,7,9-12H2,1-4H3
InChIKeyMPQBFNJNUDJPPY-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.02
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

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554
N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 61483710
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
3-chloro-2-[[(2-propan-2-yloxy-3-pyridinyl)methylamino]methyl]phenol
CID 78959442
N'-hydroxy-5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pentanimidamide
CID 77031333
2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611278
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (CID 61483713) is 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is CC(C)CCOCCNCc1cccnc1OC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is MPQBFNJNUDJPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)7-10-19-11-9-17-12-15-6-5-8-18-16(15)20-14(3)4/h5-6,8,13-14,17H,7,9-12H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 280.41 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 61483713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).