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

C8H17NO — CID 22272945

IUPAC3-(oxan-4-yl)propan-1-amine
SMILESNCCCC1CCOCC1
InChIInChI=1S/C8H17NO/c9-5-1-2-8-3-6-10-7-4-8/h8H,1-7,9H2
InChIKeyVIOABCQDSSRYIA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds3

About 3-(oxan-4-yl)propan-1-amine

3-(oxan-4-yl)propan-1-amine (PubChem CID 22272945) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(oxan-4-yl)propan-1-amine
PubChem CID22272945
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(oxan-4-yl)propan-1-amine
SMILESNCCCC1CCOCC1
InChIInChI=1S/C8H17NO/c9-5-1-2-8-3-6-10-7-4-8/h8H,1-7,9H2
InChIKeyVIOABCQDSSRYIA-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3-(oxan-4-yl)propan-1-amine (CID 22272945) is 3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3-(oxan-4-yl)propan-1-amine is NCCCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)propan-1-amine?
The InChIKey is VIOABCQDSSRYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c9-5-1-2-8-3-6-10-7-4-8/h8H,1-7,9H2.
What are the key properties of 3-(oxan-4-yl)propan-1-amine?
3-(oxan-4-yl)propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 22272945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).