N-(2-pyridin-4-ylethyl)oxan-3-amine

C12H18N2O — CID 63363456

IUPACN-(2-pyridin-4-ylethyl)oxan-3-amine
SMILESc1cc(CCNC2CCCOC2)ccn1
InChIInChI=1S/C12H18N2O/c1-2-12(10-15-9-1)14-8-5-11-3-6-13-7-4-11/h3-4,6-7,12,14H,1-2,5,8-10H2
InChIKeyXHUXVEDEZYAZHX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.39
Rot. Bonds4

About N-(2-pyridin-4-ylethyl)oxan-3-amine

N-(2-pyridin-4-ylethyl)oxan-3-amine (PubChem CID 63363456) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)oxan-3-amine
PubChem CID63363456
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2-pyridin-4-ylethyl)oxan-3-amine
SMILESc1cc(CCNC2CCCOC2)ccn1
InChIInChI=1S/C12H18N2O/c1-2-12(10-15-9-1)14-8-5-11-3-6-13-7-4-11/h3-4,6-7,12,14H,1-2,5,8-10H2
InChIKeyXHUXVEDEZYAZHX-UHFFFAOYSA-N
XLogP1.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
N-(2-pyridin-4-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895848
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-3-amine
CID 115896016
N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine
CID 115898793
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
3,4-dimethyl-N-(2-pyridin-4-ylethyl)cyclohexan-1-amine
CID 64746199
N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
CID 63335701

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)oxan-3-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)oxan-3-amine (CID 63363456) is N-(2-pyridin-4-ylethyl)oxan-3-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)oxan-3-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)oxan-3-amine is c1cc(CCNC2CCCOC2)ccn1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)oxan-3-amine?
The InChIKey is XHUXVEDEZYAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-12(10-15-9-1)14-8-5-11-3-6-13-7-4-11/h3-4,6-7,12,14H,1-2,5,8-10H2.
What are the key properties of N-(2-pyridin-4-ylethyl)oxan-3-amine?
N-(2-pyridin-4-ylethyl)oxan-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)oxan-3-amine is sourced from PubChem (CID 63363456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).