6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine

C9H18N2O — CID 123446575

IUPAC6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESCCCNCC1=CCC(N)CO1
InChIInChI=1S/C9H18N2O/c1-2-5-11-6-9-4-3-8(10)7-12-9/h4,8,11H,2-3,5-7,10H2,1H3
InChIKeyAIUAVHOTFIUEHL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.62
Rot. Bonds4

About 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine

6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine (PubChem CID 123446575) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
PubChem CID123446575
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESCCCNCC1=CCC(N)CO1
InChIInChI=1S/C9H18N2O/c1-2-5-11-6-9-4-3-8(10)7-12-9/h4,8,11H,2-3,5-7,10H2,1H3
InChIKeyAIUAVHOTFIUEHL-UHFFFAOYSA-N
XLogP0.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine (CID 123446575) is 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine is CCCNCC1=CCC(N)CO1.
What is the InChIKey of 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is AIUAVHOTFIUEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-5-11-6-9-4-3-8(10)7-12-9/h4,8,11H,2-3,5-7,10H2,1H3.
What are the key properties of 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine?
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 170.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 123446575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).