3-tert-butyl-3,6-dihydro-2H-pyran-6-amine

C9H17NO — CID 91615509

IUPAC3-tert-butyl-3,6-dihydro-2H-pyran-6-amine
SMILESCC(C)(C)C1C=CC(N)OC1
InChIInChI=1S/C9H17NO/c1-9(2,3)7-4-5-8(10)11-6-7/h4-5,7-8H,6,10H2,1-3H3
InChIKeyIOBAPDKIDUFJRO-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.52
Rot. Bonds

About 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine

3-tert-butyl-3,6-dihydro-2H-pyran-6-amine (PubChem CID 91615509) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine.

Molecular Properties

Compound Name3-tert-butyl-3,6-dihydro-2H-pyran-6-amine
PubChem CID91615509
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-tert-butyl-3,6-dihydro-2H-pyran-6-amine
SMILESCC(C)(C)C1C=CC(N)OC1
InChIInChI=1S/C9H17NO/c1-9(2,3)7-4-5-8(10)11-6-7/h4-5,7-8H,6,10H2,1-3H3
InChIKeyIOBAPDKIDUFJRO-UHFFFAOYSA-N
XLogP1.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine 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 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine?
The IUPAC name of 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine (CID 91615509) is 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine.
What is the SMILES notation for 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine?
The canonical SMILES for 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine is CC(C)(C)C1C=CC(N)OC1.
What is the InChIKey of 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine?
The InChIKey is IOBAPDKIDUFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)7-4-5-8(10)11-6-7/h4-5,7-8H,6,10H2,1-3H3.
What are the key properties of 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine?
3-tert-butyl-3,6-dihydro-2H-pyran-6-amine has a molecular weight of 155.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3,6-dihydro-2H-pyran-6-amine is sourced from PubChem (CID 91615509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).