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

C10H21NO — CID 65332234

IUPAC1-(oxan-3-yl)pentan-1-amine
SMILESCCCCC(N)C1CCCOC1
InChIInChI=1S/C10H21NO/c1-2-3-6-10(11)9-5-4-7-12-8-9/h9-10H,2-8,11H2,1H3
InChIKeyWVXLLVOLEAAIRA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

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

1-(oxan-3-yl)pentan-1-amine (PubChem CID 65332234) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(oxan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)pentan-1-amine
PubChem CID65332234
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(oxan-3-yl)pentan-1-amine
SMILESCCCCC(N)C1CCCOC1
InChIInChI=1S/C10H21NO/c1-2-3-6-10(11)9-5-4-7-12-8-9/h9-10H,2-8,11H2,1H3
InChIKeyWVXLLVOLEAAIRA-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
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)pentan-1-amine?
The IUPAC name of 1-(oxan-3-yl)pentan-1-amine (CID 65332234) is 1-(oxan-3-yl)pentan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)pentan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)pentan-1-amine is CCCCC(N)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)pentan-1-amine?
The InChIKey is WVXLLVOLEAAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-6-10(11)9-5-4-7-12-8-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-(oxan-3-yl)pentan-1-amine?
1-(oxan-3-yl)pentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)pentan-1-amine is sourced from PubChem (CID 65332234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).