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

C10H19NO2 — CID 62065963

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-10(2,8-12)11-7-9-5-3-4-6-13-9/h4,6,9,11-12H,3,5,7-8H2,1-2H3
InChIKeyHJKZEEQGVUBROJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds4

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

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol (PubChem CID 62065963) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol
PubChem CID62065963
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CCC=CO1
InChIInChI=1S/C10H19NO2/c1-10(2,8-12)11-7-9-5-3-4-6-13-9/h4,6,9,11-12H,3,5,7-8H2,1-2H3
InChIKeyHJKZEEQGVUBROJ-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol (CID 62065963) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol is CC(C)(CO)NCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol?
The InChIKey is HJKZEEQGVUBROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,8-12)11-7-9-5-3-4-6-13-9/h4,6,9,11-12H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 1.04, 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)-2-methylpropan-1-ol is sourced from PubChem (CID 62065963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).