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

C12H23NO2 — CID 115742167

IUPAC2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-3-10(2)12(8-14)13-7-11-5-4-6-15-9-11/h5,10,12-14H,3-4,6-9H2,1-2H3
InChIKeyCGTUGPHVCYIQQH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.33
Rot. Bonds6

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

2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol (PubChem CID 115742167) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol
PubChem CID115742167
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NCC1=CCCOC1
InChIInChI=1S/C12H23NO2/c1-3-10(2)12(8-14)13-7-11-5-4-6-15-9-11/h5,10,12-14H,3-4,6-9H2,1-2H3
InChIKeyCGTUGPHVCYIQQH-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol (CID 115742167) is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol is CCC(C)C(CO)NCC1=CCCOC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol?
The InChIKey is CGTUGPHVCYIQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(2)12(8-14)13-7-11-5-4-6-15-9-11/h5,10,12-14H,3-4,6-9H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol?
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 115742167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).