4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine

C11H20N2O — CID 114410477

IUPAC4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
SMILESNC1(CN2CC=CCC2)CCOCC1
InChIInChI=1S/C11H20N2O/c12-11(4-8-14-9-5-11)10-13-6-2-1-3-7-13/h1-2H,3-10,12H2
InChIKeyBXBURSYEOQBOOG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.76
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine

4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine (PubChem CID 114410477) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
PubChem CID114410477
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine
SMILESNC1(CN2CC=CCC2)CCOCC1
InChIInChI=1S/C11H20N2O/c12-11(4-8-14-9-5-11)10-13-6-2-1-3-7-13/h1-2H,3-10,12H2
InChIKeyBXBURSYEOQBOOG-UHFFFAOYSA-N
XLogP0.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.76
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 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine (CID 114410477) is 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine is NC1(CN2CC=CCC2)CCOCC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine?
The InChIKey is BXBURSYEOQBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-11(4-8-14-9-5-11)10-13-6-2-1-3-7-13/h1-2H,3-10,12H2.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine?
4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine has a molecular weight of 196.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxan-4-amine is sourced from PubChem (CID 114410477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).