1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine

C13H20N2O — CID 66448560

IUPAC1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
SMILESCC(c1ccccn1)C(N)C1CCOCC1
InChIInChI=1S/C13H20N2O/c1-10(12-4-2-3-7-15-12)13(14)11-5-8-16-9-6-11/h2-4,7,10-11,13H,5-6,8-9,14H2,1H3
InChIKeyDPEKXEQGCMCZIE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds3

About 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine

1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine (PubChem CID 66448560) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
PubChem CID66448560
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
SMILESCC(c1ccccn1)C(N)C1CCOCC1
InChIInChI=1S/C13H20N2O/c1-10(12-4-2-3-7-15-12)13(14)11-5-8-16-9-6-11/h2-4,7,10-11,13H,5-6,8-9,14H2,1H3
InChIKeyDPEKXEQGCMCZIE-UHFFFAOYSA-N
XLogP1.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 66446614
1-cyclopentyl-2-pyridin-2-ylpropan-1-amine
CID 66448564
1-cyclooctyl-2-pyridin-2-ylpropan-1-amine
CID 66448173
2-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124
2-[1-chloro-1-(oxolan-3-yl)propan-2-yl]pyridine
CID 66460210
2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine
CID 66455508
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
1-cyclohexyl-3-pyridin-2-ylbutan-2-amine
CID 66448950
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine (CID 66448560) is 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine is CC(c1ccccn1)C(N)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine?
The InChIKey is DPEKXEQGCMCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(12-4-2-3-7-15-12)13(14)11-5-8-16-9-6-11/h2-4,7,10-11,13H,5-6,8-9,14H2,1H3.
What are the key properties of 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine?
1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66448560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).