2-(oxan-4-yl)butan-2-amine

C9H19NO — CID 63936671

IUPAC2-(oxan-4-yl)butan-2-amine
SMILESCCC(C)(N)C1CCOCC1
InChIInChI=1S/C9H19NO/c1-3-9(2,10)8-4-6-11-7-5-8/h8H,3-7,10H2,1-2H3
InChIKeyIJOXVCBEQKGSJS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About 2-(oxan-4-yl)butan-2-amine

2-(oxan-4-yl)butan-2-amine (PubChem CID 63936671) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound Name2-(oxan-4-yl)butan-2-amine
PubChem CID63936671
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(oxan-4-yl)butan-2-amine
SMILESCCC(C)(N)C1CCOCC1
InChIInChI=1S/C9H19NO/c1-3-9(2,10)8-4-6-11-7-5-8/h8H,3-7,10H2,1-2H3
InChIKeyIJOXVCBEQKGSJS-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(oxan-4-yl)butan-2-amine?
The IUPAC name of 2-(oxan-4-yl)butan-2-amine (CID 63936671) is 2-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for 2-(oxan-4-yl)butan-2-amine?
The canonical SMILES for 2-(oxan-4-yl)butan-2-amine is CCC(C)(N)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)butan-2-amine?
The InChIKey is IJOXVCBEQKGSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(2,10)8-4-6-11-7-5-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)butan-2-amine?
2-(oxan-4-yl)butan-2-amine has a molecular weight of 157.26 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 2-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 63936671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).