1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine

C8H15NO — CID 55253636

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine
SMILESCC(N)CC1=COCCC1
InChIInChI=1S/C8H15NO/c1-7(9)5-8-3-2-4-10-6-8/h6-7H,2-5,9H2,1H3
InChIKeyLNHGQNRVBSNBQZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.42
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine

1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine (PubChem CID 55253636) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine
PubChem CID55253636
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine
SMILESCC(N)CC1=COCCC1
InChIInChI=1S/C8H15NO/c1-7(9)5-8-3-2-4-10-6-8/h6-7H,2-5,9H2,1H3
InChIKeyLNHGQNRVBSNBQZ-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-5-yl)propan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine (CID 55253636) is 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine is CC(N)CC1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine?
The InChIKey is LNHGQNRVBSNBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(9)5-8-3-2-4-10-6-8/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine?
1-(3,4-dihydro-2H-pyran-5-yl)propan-2-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-5-yl)propan-2-amine is sourced from PubChem (CID 55253636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).