3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol

C8H20N2O2 — CID 82849695

IUPAC3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol
SMILESCC(C)N(CCN)CC(O)CO
InChIInChI=1S/C8H20N2O2/c1-7(2)10(4-3-9)5-8(12)6-11/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyIKDNYHLXODRJAH-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.99
Rot. Bonds6

About 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol

3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol (PubChem CID 82849695) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol
PubChem CID82849695
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol
SMILESCC(C)N(CCN)CC(O)CO
InChIInChI=1S/C8H20N2O2/c1-7(2)10(4-3-9)5-8(12)6-11/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyIKDNYHLXODRJAH-UHFFFAOYSA-N
XLogP-0.99
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol (CID 82849695) is 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol is CC(C)N(CCN)CC(O)CO.
What is the InChIKey of 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol?
The InChIKey is IKDNYHLXODRJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-7(2)10(4-3-9)5-8(12)6-11/h7-8,11-12H,3-6,9H2,1-2H3.
What are the key properties of 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol?
3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol has a molecular weight of 176.26 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol is sourced from PubChem (CID 82849695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).