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

C11H21NO — CID 102649181

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine
SMILESCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h8,10H,2-7,9,12H2,1H3
InChIKeyXLJQTRCVQVDWBT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.59
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine (PubChem CID 102649181) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine
PubChem CID102649181
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine
SMILESCCCCCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h8,10H,2-7,9,12H2,1H3
InChIKeyXLJQTRCVQVDWBT-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine (CID 102649181) is 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine is CCCCCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine?
The InChIKey is XLJQTRCVQVDWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h8,10H,2-7,9,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-amine is sourced from PubChem (CID 102649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).