3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol

C11H24N2O2 — CID 83177520

IUPAC3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol
SMILESCC(CCO)NC(CN)C1CCC(C)O1
InChIInChI=1S/C11H24N2O2/c1-8(5-6-14)13-10(7-12)11-4-3-9(2)15-11/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyLCFYJECPMKUHLP-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.24
Rot. Bonds6

About 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol

3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol (PubChem CID 83177520) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol
PubChem CID83177520
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol
SMILESCC(CCO)NC(CN)C1CCC(C)O1
InChIInChI=1S/C11H24N2O2/c1-8(5-6-14)13-10(7-12)11-4-3-9(2)15-11/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyLCFYJECPMKUHLP-UHFFFAOYSA-N
XLogP0.24
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol (CID 83177520) is 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol is CC(CCO)NC(CN)C1CCC(C)O1.
What is the InChIKey of 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol?
The InChIKey is LCFYJECPMKUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(5-6-14)13-10(7-12)11-4-3-9(2)15-11/h8-11,13-14H,3-7,12H2,1-2H3.
What are the key properties of 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol?
3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(5-methyloxolan-2-yl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 83177520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).