4-(propylaminomethyl)oxan-4-ol

C9H19NO2 — CID 62775090

IUPAC4-(propylaminomethyl)oxan-4-ol
SMILESCCCNCC1(O)CCOCC1
InChIInChI=1S/C9H19NO2/c1-2-5-10-8-9(11)3-6-12-7-4-9/h10-11H,2-8H2,1H3
InChIKeyCJARNUSMKHGUPC-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds4

About 4-(propylaminomethyl)oxan-4-ol

4-(propylaminomethyl)oxan-4-ol (PubChem CID 62775090) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(propylaminomethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(propylaminomethyl)oxan-4-ol
PubChem CID62775090
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(propylaminomethyl)oxan-4-ol
SMILESCCCNCC1(O)CCOCC1
InChIInChI=1S/C9H19NO2/c1-2-5-10-8-9(11)3-6-12-7-4-9/h10-11H,2-8H2,1H3
InChIKeyCJARNUSMKHGUPC-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(propylaminomethyl)oxan-4-ol?
The IUPAC name of 4-(propylaminomethyl)oxan-4-ol (CID 62775090) is 4-(propylaminomethyl)oxan-4-ol.
What is the SMILES notation for 4-(propylaminomethyl)oxan-4-ol?
The canonical SMILES for 4-(propylaminomethyl)oxan-4-ol is CCCNCC1(O)CCOCC1.
What is the InChIKey of 4-(propylaminomethyl)oxan-4-ol?
The InChIKey is CJARNUSMKHGUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-5-10-8-9(11)3-6-12-7-4-9/h10-11H,2-8H2,1H3.
What are the key properties of 4-(propylaminomethyl)oxan-4-ol?
4-(propylaminomethyl)oxan-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylaminomethyl)oxan-4-ol is sourced from PubChem (CID 62775090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).