4-(1-aminopropyl)oxolan-3-ol

C7H15NO2 — CID 55288646

IUPAC4-(1-aminopropyl)oxolan-3-ol
SMILESCCC(N)C1COCC1O
InChIInChI=1S/C7H15NO2/c1-2-6(8)5-3-10-4-7(5)9/h5-7,9H,2-4,8H2,1H3
InChIKeyCXEKEJMVLLZMLQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.27
Rot. Bonds2

About 4-(1-aminopropyl)oxolan-3-ol

4-(1-aminopropyl)oxolan-3-ol (PubChem CID 55288646) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(1-aminopropyl)oxolan-3-ol.

Molecular Properties

Compound Name4-(1-aminopropyl)oxolan-3-ol
PubChem CID55288646
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(1-aminopropyl)oxolan-3-ol
SMILESCCC(N)C1COCC1O
InChIInChI=1S/C7H15NO2/c1-2-6(8)5-3-10-4-7(5)9/h5-7,9H,2-4,8H2,1H3
InChIKeyCXEKEJMVLLZMLQ-UHFFFAOYSA-N
XLogP-0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)oxolan-3-ol?
The IUPAC name of 4-(1-aminopropyl)oxolan-3-ol (CID 55288646) is 4-(1-aminopropyl)oxolan-3-ol.
What is the SMILES notation for 4-(1-aminopropyl)oxolan-3-ol?
The canonical SMILES for 4-(1-aminopropyl)oxolan-3-ol is CCC(N)C1COCC1O.
What is the InChIKey of 4-(1-aminopropyl)oxolan-3-ol?
The InChIKey is CXEKEJMVLLZMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-6(8)5-3-10-4-7(5)9/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 4-(1-aminopropyl)oxolan-3-ol?
4-(1-aminopropyl)oxolan-3-ol has a molecular weight of 145.20 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)oxolan-3-ol is sourced from PubChem (CID 55288646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).