3,4-dihydro-2H-pyran-6-ylmethanamine;ethane

C10H23NO — CID 142274774

IUPAC3,4-dihydro-2H-pyran-6-ylmethanamine;ethane
SMILESCC.CC.NCC1=CCCCO1
InChIInChI=1S/C6H11NO.2C2H6/c7-5-6-3-1-2-4-8-6;2*1-2/h3H,1-2,4-5,7H2;2*1-2H3
InChIKeyWSSFERFKORGBKO-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.69
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane

3,4-dihydro-2H-pyran-6-ylmethanamine;ethane (PubChem CID 142274774) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-ylmethanamine;ethane
PubChem CID142274774
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3,4-dihydro-2H-pyran-6-ylmethanamine;ethane
SMILESCC.CC.NCC1=CCCCO1
InChIInChI=1S/C6H11NO.2C2H6/c7-5-6-3-1-2-4-8-6;2*1-2/h3H,1-2,4-5,7H2;2*1-2H3
InChIKeyWSSFERFKORGBKO-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane?
The IUPAC name of 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane (CID 142274774) is 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane is CC.CC.NCC1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane?
The InChIKey is WSSFERFKORGBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.2C2H6/c7-5-6-3-1-2-4-8-6;2*1-2/h3H,1-2,4-5,7H2;2*1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane?
3,4-dihydro-2H-pyran-6-ylmethanamine;ethane has a molecular weight of 173.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-ylmethanamine;ethane is sourced from PubChem (CID 142274774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).