2-(oxan-4-yl)propan-1-amine

C8H17NO — CID 55290013

IUPAC2-(oxan-4-yl)propan-1-amine
SMILESCC(CN)C1CCOCC1
InChIInChI=1S/C8H17NO/c1-7(6-9)8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyFZSLTQVQTWQEEO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.01
Rot. Bonds2

About 2-(oxan-4-yl)propan-1-amine

2-(oxan-4-yl)propan-1-amine (PubChem CID 55290013) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-yl)propan-1-amine
PubChem CID55290013
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(oxan-4-yl)propan-1-amine
SMILESCC(CN)C1CCOCC1
InChIInChI=1S/C8H17NO/c1-7(6-9)8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyFZSLTQVQTWQEEO-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.01
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)propan-1-amine?
The IUPAC name of 2-(oxan-4-yl)propan-1-amine (CID 55290013) is 2-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 2-(oxan-4-yl)propan-1-amine is CC(CN)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)propan-1-amine?
The InChIKey is FZSLTQVQTWQEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(6-9)8-2-4-10-5-3-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(oxan-4-yl)propan-1-amine?
2-(oxan-4-yl)propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.01, 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)propan-1-amine is sourced from PubChem (CID 55290013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).