3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol

C8H15NO2 — CID 55255756

IUPAC3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
SMILESNC(CCO)C1=COCCC1
InChIInChI=1S/C8H15NO2/c9-8(3-4-10)7-2-1-5-11-6-7/h6,8,10H,1-5,9H2
InChIKeyJNTLIWOCGCDRGK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol

3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol (PubChem CID 55255756) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
PubChem CID55255756
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
SMILESNC(CCO)C1=COCCC1
InChIInChI=1S/C8H15NO2/c9-8(3-4-10)7-2-1-5-11-6-7/h6,8,10H,1-5,9H2
InChIKeyJNTLIWOCGCDRGK-UHFFFAOYSA-N
XLogP0.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol (CID 55255756) is 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol is NC(CCO)C1=COCCC1.
What is the InChIKey of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
The InChIKey is JNTLIWOCGCDRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-8(3-4-10)7-2-1-5-11-6-7/h6,8,10H,1-5,9H2.
What are the key properties of 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol?
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol has a molecular weight of 157.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol is sourced from PubChem (CID 55255756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).