N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine

C13H23NO2 — CID 102613512

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCC1CCC=CO1)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(12-5-8-15-9-6-12)14-10-13-4-2-3-7-16-13/h3,7,11-14H,2,4-6,8-10H2,1H3
InChIKeyKVXPDEKQSRIOPZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.08
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine (PubChem CID 102613512) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine
PubChem CID102613512
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCC1CCC=CO1)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-11(12-5-8-15-9-6-12)14-10-13-4-2-3-7-16-13/h3,7,11-14H,2,4-6,8-10H2,1H3
InChIKeyKVXPDEKQSRIOPZ-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine (CID 102613512) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine is CC(NCC1CCC=CO1)C1CCOCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is KVXPDEKQSRIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(12-5-8-15-9-6-12)14-10-13-4-2-3-7-16-13/h3,7,11-14H,2,4-6,8-10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 102613512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).