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

C10H19NO2 — CID 64927738

IUPAC4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol
SMILESCC(O)CCNCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-9(12)5-6-11-8-10-4-2-3-7-13-10/h3,7,9-12H,2,4-6,8H2,1H3
InChIKeyDGPARXVIWSMYSU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds5

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

4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol (PubChem CID 64927738) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol
PubChem CID64927738
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol
SMILESCC(O)CCNCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-9(12)5-6-11-8-10-4-2-3-7-13-10/h3,7,9-12H,2,4-6,8H2,1H3
InChIKeyDGPARXVIWSMYSU-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 62065418
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CID 143819446
CID 143819446
CID 157977968
CID 157977968
CID 62064374
CID 62064374
CID 62064379
CID 62064379
CID 62064433
CID 62064433
CID 62064594
CID 62064594
CID 62064601
CID 62064601
CID 62064714
CID 62064714

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol (CID 64927738) is 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol is CC(O)CCNCC1CCC=CO1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol?
The InChIKey is DGPARXVIWSMYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(12)5-6-11-8-10-4-2-3-7-13-10/h3,7,9-12H,2,4-6,8H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol?
4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 64927738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).