4-(4-aminobutylamino)oxolan-3-ol

C8H18N2O2 — CID 155892283

IUPAC4-(4-aminobutylamino)oxolan-3-ol
SMILESNCCCCNC1COCC1O
InChIInChI=1S/C8H18N2O2/c9-3-1-2-4-10-7-5-12-6-8(7)11/h7-8,10-11H,1-6,9H2
InChIKeyLBAUSODQXBUVCW-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.93
Rot. Bonds5

About 4-(4-aminobutylamino)oxolan-3-ol

4-(4-aminobutylamino)oxolan-3-ol (PubChem CID 155892283) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-(4-aminobutylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(4-aminobutylamino)oxolan-3-ol
PubChem CID155892283
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-(4-aminobutylamino)oxolan-3-ol
SMILESNCCCCNC1COCC1O
InChIInChI=1S/C8H18N2O2/c9-3-1-2-4-10-7-5-12-6-8(7)11/h7-8,10-11H,1-6,9H2
InChIKeyLBAUSODQXBUVCW-UHFFFAOYSA-N
XLogP-0.93
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-aminobutylamino)oxolan-3-ol?
The IUPAC name of 4-(4-aminobutylamino)oxolan-3-ol (CID 155892283) is 4-(4-aminobutylamino)oxolan-3-ol.
What is the SMILES notation for 4-(4-aminobutylamino)oxolan-3-ol?
The canonical SMILES for 4-(4-aminobutylamino)oxolan-3-ol is NCCCCNC1COCC1O.
What is the InChIKey of 4-(4-aminobutylamino)oxolan-3-ol?
The InChIKey is LBAUSODQXBUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-3-1-2-4-10-7-5-12-6-8(7)11/h7-8,10-11H,1-6,9H2.
What are the key properties of 4-(4-aminobutylamino)oxolan-3-ol?
4-(4-aminobutylamino)oxolan-3-ol has a molecular weight of 174.24 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutylamino)oxolan-3-ol is sourced from PubChem (CID 155892283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).