4-propyloxan-4-amine

C8H17NO — CID 63220415

IUPAC4-propyloxan-4-amine
SMILESCCCC1(N)CCOCC1
InChIInChI=1S/C8H17NO/c1-2-3-8(9)4-6-10-7-5-8/h2-7,9H2,1H3
InChIKeyOGAIXEMGIZIEOC-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds2

About 4-propyloxan-4-amine

4-propyloxan-4-amine (PubChem CID 63220415) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-propyloxan-4-amine.

Molecular Properties

Compound Name4-propyloxan-4-amine
PubChem CID63220415
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-propyloxan-4-amine
SMILESCCCC1(N)CCOCC1
InChIInChI=1S/C8H17NO/c1-2-3-8(9)4-6-10-7-5-8/h2-7,9H2,1H3
InChIKeyOGAIXEMGIZIEOC-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyloxan-4-amine?
The IUPAC name of 4-propyloxan-4-amine (CID 63220415) is 4-propyloxan-4-amine.
What is the SMILES notation for 4-propyloxan-4-amine?
The canonical SMILES for 4-propyloxan-4-amine is CCCC1(N)CCOCC1.
What is the InChIKey of 4-propyloxan-4-amine?
The InChIKey is OGAIXEMGIZIEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-8(9)4-6-10-7-5-8/h2-7,9H2,1H3.
What are the key properties of 4-propyloxan-4-amine?
4-propyloxan-4-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyloxan-4-amine is sourced from PubChem (CID 63220415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).