N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine

C11H19NO2 — CID 127017032

IUPACN-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine
SMILESC1=C(CNC2CCOCC2)CCOC1
InChIInChI=1S/C11H19NO2/c1-5-13-6-2-10(1)9-12-11-3-7-14-8-4-11/h1,11-12H,2-9H2
InChIKeyVQNYLDCUKGIVMU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine

N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine (PubChem CID 127017032) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine
PubChem CID127017032
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine
SMILESC1=C(CNC2CCOCC2)CCOC1
InChIInChI=1S/C11H19NO2/c1-5-13-6-2-10(1)9-12-11-3-7-14-8-4-11/h1,11-12H,2-9H2
InChIKeyVQNYLDCUKGIVMU-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine (CID 127017032) is N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine is C1=C(CNC2CCOCC2)CCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine?
The InChIKey is VQNYLDCUKGIVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-13-6-2-10(1)9-12-11-3-7-14-8-4-11/h1,11-12H,2-9H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine?
N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-4-ylmethyl)oxan-4-amine is sourced from PubChem (CID 127017032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).