2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine

C9H17NO — CID 105430395

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1=CCOCC1
InChIInChI=1S/C9H17NO/c1-9(2,7-10)8-3-5-11-6-4-8/h3H,4-7,10H2,1-2H3
InChIKeyBUKWTMMHFLDRGS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine

2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine (PubChem CID 105430395) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine
PubChem CID105430395
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1=CCOCC1
InChIInChI=1S/C9H17NO/c1-9(2,7-10)8-3-5-11-6-4-8/h3H,4-7,10H2,1-2H3
InChIKeyBUKWTMMHFLDRGS-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine (CID 105430395) is 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine is CC(C)(CN)C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine?
The InChIKey is BUKWTMMHFLDRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,7-10)8-3-5-11-6-4-8/h3H,4-7,10H2,1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine?
2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 105430395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).