N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine

C11H18N2O — CID 82724326

IUPACN-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
SMILESCC(C)(C)ONCCc1cccnc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)14-13-8-6-10-5-4-7-12-9-10/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyZKDFGHJOQJCQMD-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.94
Rot. Bonds4

About N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine

N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine (PubChem CID 82724326) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
PubChem CID82724326
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
SMILESCC(C)(C)ONCCc1cccnc1
InChIInChI=1S/C11H18N2O/c1-11(2,3)14-13-8-6-10-5-4-7-12-9-10/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyZKDFGHJOQJCQMD-UHFFFAOYSA-N
XLogP1.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
5-methoxy-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 106503992
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
5-bromo-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 63873791
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60912742

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine (CID 82724326) is N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine is CC(C)(C)ONCCc1cccnc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine?
The InChIKey is ZKDFGHJOQJCQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)14-13-8-6-10-5-4-7-12-9-10/h4-5,7,9,13H,6,8H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine?
N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 82724326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).