2-(3,4-dihydro-2H-pyran-2-yl)ethanamine

C7H13NO — CID 55253426

IUPAC2-(3,4-dihydro-2H-pyran-2-yl)ethanamine
SMILESNCCC1CCC=CO1
InChIInChI=1S/C7H13NO/c8-5-4-7-3-1-2-6-9-7/h2,6-7H,1,3-5,8H2
InChIKeyLNCSPLGFQJHRRN-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.03
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine

2-(3,4-dihydro-2H-pyran-2-yl)ethanamine (PubChem CID 55253426) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-yl)ethanamine
PubChem CID55253426
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3,4-dihydro-2H-pyran-2-yl)ethanamine
SMILESNCCC1CCC=CO1
InChIInChI=1S/C7H13NO/c8-5-4-7-3-1-2-6-9-7/h2,6-7H,1,3-5,8H2
InChIKeyLNCSPLGFQJHRRN-UHFFFAOYSA-N
XLogP1.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine (CID 55253426) is 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine is NCCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
The InChIKey is LNCSPLGFQJHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-5-4-7-3-1-2-6-9-7/h2,6-7H,1,3-5,8H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine?
2-(3,4-dihydro-2H-pyran-2-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-yl)ethanamine is sourced from PubChem (CID 55253426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).