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

C8H15NO — CID 102647138

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCCC(N)C1=CCCCO1
InChIInChI=1S/C8H15NO/c1-2-7(9)8-5-3-4-6-10-8/h5,7H,2-4,6,9H2,1H3
InChIKeyCMDBIOYXOOGEEM-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.42
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (PubChem CID 102647138) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
PubChem CID102647138
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCCC(N)C1=CCCCO1
InChIInChI=1S/C8H15NO/c1-2-7(9)8-5-3-4-6-10-8/h5,7H,2-4,6,9H2,1H3
InChIKeyCMDBIOYXOOGEEM-UHFFFAOYSA-N
XLogP1.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (CID 102647138) is 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine is CCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The InChIKey is CMDBIOYXOOGEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7(9)8-5-3-4-6-10-8/h5,7H,2-4,6,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.42, 2 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)propan-1-amine is sourced from PubChem (CID 102647138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).