3-propyl-2H-pyran-2-amine

C8H13NO — CID 151135485

IUPAC3-propyl-2H-pyran-2-amine
SMILESCCCC1=CC=COC1N
InChIInChI=1S/C8H13NO/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6,8H,2,4,9H2,1H3
InChIKeyMVCYQHGFHUOTNA-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.54
Rot. Bonds2

About 3-propyl-2H-pyran-2-amine

3-propyl-2H-pyran-2-amine (PubChem CID 151135485) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-propyl-2H-pyran-2-amine.

Molecular Properties

Compound Name3-propyl-2H-pyran-2-amine
PubChem CID151135485
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-propyl-2H-pyran-2-amine
SMILESCCCC1=CC=COC1N
InChIInChI=1S/C8H13NO/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6,8H,2,4,9H2,1H3
InChIKeyMVCYQHGFHUOTNA-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2H-pyran-2-amine?
The IUPAC name of 3-propyl-2H-pyran-2-amine (CID 151135485) is 3-propyl-2H-pyran-2-amine.
What is the SMILES notation for 3-propyl-2H-pyran-2-amine?
The canonical SMILES for 3-propyl-2H-pyran-2-amine is CCCC1=CC=COC1N.
What is the InChIKey of 3-propyl-2H-pyran-2-amine?
The InChIKey is MVCYQHGFHUOTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6,8H,2,4,9H2,1H3.
What are the key properties of 3-propyl-2H-pyran-2-amine?
3-propyl-2H-pyran-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2H-pyran-2-amine is sourced from PubChem (CID 151135485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).