1-(oxan-3-yl)butan-1-amine

C9H19NO — CID 65332232

IUPAC1-(oxan-3-yl)butan-1-amine
SMILESCCCC(N)C1CCCOC1
InChIInChI=1S/C9H19NO/c1-2-4-9(10)8-5-3-6-11-7-8/h8-9H,2-7,10H2,1H3
InChIKeyZPIYEWMGOGSTPX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About 1-(oxan-3-yl)butan-1-amine

1-(oxan-3-yl)butan-1-amine (PubChem CID 65332232) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)butan-1-amine
PubChem CID65332232
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(oxan-3-yl)butan-1-amine
SMILESCCCC(N)C1CCCOC1
InChIInChI=1S/C9H19NO/c1-2-4-9(10)8-5-3-6-11-7-8/h8-9H,2-7,10H2,1H3
InChIKeyZPIYEWMGOGSTPX-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)butan-1-amine?
The IUPAC name of 1-(oxan-3-yl)butan-1-amine (CID 65332232) is 1-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)butan-1-amine is CCCC(N)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)butan-1-amine?
The InChIKey is ZPIYEWMGOGSTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-4-9(10)8-5-3-6-11-7-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-(oxan-3-yl)butan-1-amine?
1-(oxan-3-yl)butan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 65332232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).