1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine

C11H19NO3 — CID 62065817

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine
SMILESC1=COC(CNCC2COCCO2)CC1
InChIInChI=1S/C11H19NO3/c1-2-4-14-10(3-1)7-12-8-11-9-13-5-6-15-11/h2,4,10-12H,1,3,5-9H2
InChIKeyFBZRIWZKGPJTSN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.68
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine (PubChem CID 62065817) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine
PubChem CID62065817
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine
SMILESC1=COC(CNCC2COCCO2)CC1
InChIInChI=1S/C11H19NO3/c1-2-4-14-10(3-1)7-12-8-11-9-13-5-6-15-11/h2,4,10-12H,1,3,5-9H2
InChIKeyFBZRIWZKGPJTSN-UHFFFAOYSA-N
XLogP0.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine (CID 62065817) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine is C1=COC(CNCC2COCCO2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
The InChIKey is FBZRIWZKGPJTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-4-14-10(3-1)7-12-8-11-9-13-5-6-15-11/h2,4,10-12H,1,3,5-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine has a molecular weight of 213.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-N-(1,4-dioxan-2-ylmethyl)methanamine is sourced from PubChem (CID 62065817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).