1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol

C8H20N2O2 — CID 19350109

IUPAC1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCN)CC(C)O
InChIInChI=1S/C8H20N2O2/c1-7(11)5-10(4-3-9)6-8(2)12/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyDHHDBOQJJJGUQC-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.99
Rot. Bonds6

About 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol

1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 19350109) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID19350109
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCN)CC(C)O
InChIInChI=1S/C8H20N2O2/c1-7(11)5-10(4-3-9)6-8(2)12/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyDHHDBOQJJJGUQC-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 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol (CID 19350109) is 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CCN)CC(C)O.
What is the InChIKey of 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is DHHDBOQJJJGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-7(11)5-10(4-3-9)6-8(2)12/h7-8,11-12H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol?
1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol 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 1-[2-aminoethyl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 19350109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).