2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol

C9H17NO2 — CID 62066153

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
SMILESCC(CO)NCC1CCC=CO1
InChIInChI=1S/C9H17NO2/c1-8(7-11)10-6-9-4-2-3-5-12-9/h3,5,8-11H,2,4,6-7H2,1H3
InChIKeyIWPQCTWNWQDOHA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds4

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol (PubChem CID 62066153) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
PubChem CID62066153
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
SMILESCC(CO)NCC1CCC=CO1
InChIInChI=1S/C9H17NO2/c1-8(7-11)10-6-9-4-2-3-5-12-9/h3,5,8-11H,2,4,6-7H2,1H3
InChIKeyIWPQCTWNWQDOHA-UHFFFAOYSA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol (CID 62066153) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol is CC(CO)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
The InChIKey is IWPQCTWNWQDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-11)10-6-9-4-2-3-5-12-9/h3,5,8-11H,2,4,6-7H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 62066153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).