4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine

C13H24N2O2 — CID 114410909

IUPAC4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine
SMILESCOCC1=CCN(CC2(N)CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-16-10-12-2-6-15(7-3-12)11-13(14)4-8-17-9-5-13/h2H,3-11,14H2,1H3
InChIKeyYLKBIOSQUYDWLF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.77
Rot. Bonds4

About 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine

4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine (PubChem CID 114410909) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine
PubChem CID114410909
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine
SMILESCOCC1=CCN(CC2(N)CCOCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-16-10-12-2-6-15(7-3-12)11-13(14)4-8-17-9-5-13/h2H,3-11,14H2,1H3
InChIKeyYLKBIOSQUYDWLF-UHFFFAOYSA-N
XLogP0.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine
CID 113591673
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine
CID 106314894
(4-aminooxan-4-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113581468
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-yl]methanamine
CID 113581620
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
CID 114410477
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine
CID 114410696
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine
CID 114410906
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine
CID 114410914
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine
CID 114410977
1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine
CID 114410999
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexan-1-amine
CID 114411026
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114411039

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine?
The IUPAC name of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine (CID 114410909) is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine?
The canonical SMILES for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine is COCC1=CCN(CC2(N)CCOCC2)CC1.
What is the InChIKey of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine?
The InChIKey is YLKBIOSQUYDWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-16-10-12-2-6-15(7-3-12)11-13(14)4-8-17-9-5-13/h2H,3-11,14H2,1H3.
What are the key properties of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine?
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine has a molecular weight of 240.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-amine is sourced from PubChem (CID 114410909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).