1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol

C9H22N2O2 — CID 22266927

IUPAC1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN)CC(C)O
InChIInChI=1S/C9H22N2O2/c1-8(12)6-11(5-3-4-10)7-9(2)13/h8-9,12-13H,3-7,10H2,1-2H3
InChIKeyFYYUTGDAKCRTMZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.60
Rot. Bonds7

About 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol

1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 22266927) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID22266927
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN)CC(C)O
InChIInChI=1S/C9H22N2O2/c1-8(12)6-11(5-3-4-10)7-9(2)13/h8-9,12-13H,3-7,10H2,1-2H3
InChIKeyFYYUTGDAKCRTMZ-UHFFFAOYSA-N
XLogP-0.60
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol (CID 22266927) is 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CCCN)CC(C)O.
What is the InChIKey of 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is FYYUTGDAKCRTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(12)6-11(5-3-4-10)7-9(2)13/h8-9,12-13H,3-7,10H2,1-2H3.
What are the key properties of 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 190.29 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 22266927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).