3-amino-3-(2-aminophenyl)pentane-1,5-diol

C11H18N2O2 — CID 175884616

IUPAC3-amino-3-(2-aminophenyl)pentane-1,5-diol
SMILESNc1ccccc1C(N)(CCO)CCO
InChIInChI=1S/C11H18N2O2/c12-10-4-2-1-3-9(10)11(13,5-7-14)6-8-15/h1-4,14-15H,5-8,12-13H2
InChIKeyGRMRBXBAYIVSDH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.19
Rot. Bonds5

About 3-amino-3-(2-aminophenyl)pentane-1,5-diol

3-amino-3-(2-aminophenyl)pentane-1,5-diol (PubChem CID 175884616) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-3-(2-aminophenyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-amino-3-(2-aminophenyl)pentane-1,5-diol
PubChem CID175884616
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-3-(2-aminophenyl)pentane-1,5-diol
SMILESNc1ccccc1C(N)(CCO)CCO
InChIInChI=1S/C11H18N2O2/c12-10-4-2-1-3-9(10)11(13,5-7-14)6-8-15/h1-4,14-15H,5-8,12-13H2
InChIKeyGRMRBXBAYIVSDH-UHFFFAOYSA-N
XLogP0.19
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
The IUPAC name of 3-amino-3-(2-aminophenyl)pentane-1,5-diol (CID 175884616) is 3-amino-3-(2-aminophenyl)pentane-1,5-diol.
What is the SMILES notation for 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
The canonical SMILES for 3-amino-3-(2-aminophenyl)pentane-1,5-diol is Nc1ccccc1C(N)(CCO)CCO.
What is the InChIKey of 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
The InChIKey is GRMRBXBAYIVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-10-4-2-1-3-9(10)11(13,5-7-14)6-8-15/h1-4,14-15H,5-8,12-13H2.
What are the key properties of 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
3-amino-3-(2-aminophenyl)pentane-1,5-diol has a molecular weight of 210.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-aminophenyl)pentane-1,5-diol is sourced from PubChem (CID 175884616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).