1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol

C12H23NO2 — CID 115742060

IUPAC1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-3-6-12(2,14)10-13-8-11-5-4-7-15-9-11/h5,13-14H,3-4,6-10H2,1-2H3
InChIKeyKAZCIZPEKOFSIT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds6

About 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol

1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol (PubChem CID 115742060) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol
PubChem CID115742060
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-3-6-12(2,14)10-13-8-11-5-4-7-15-9-11/h5,13-14H,3-4,6-10H2,1-2H3
InChIKeyKAZCIZPEKOFSIT-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol (CID 115742060) is 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol is CCCC(C)(O)CNCC1=CCCOC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol?
The InChIKey is KAZCIZPEKOFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-6-12(2,14)10-13-8-11-5-4-7-15-9-11/h5,13-14H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol?
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-methylpentan-2-ol is sourced from PubChem (CID 115742060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).