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

C9H22N2O2 — CID 22486530

IUPAC1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCCC(N)N(CC(C)O)CC(C)O
InChIInChI=1S/C9H22N2O2/c1-4-9(10)11(5-7(2)12)6-8(3)13/h7-9,12-13H,4-6,10H2,1-3H3
InChIKeyPZOHCPSNWIIHNW-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.26
Rot. Bonds6

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

1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 22486530) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID22486530
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol
SMILESCCC(N)N(CC(C)O)CC(C)O
InChIInChI=1S/C9H22N2O2/c1-4-9(10)11(5-7(2)12)6-8(3)13/h7-9,12-13H,4-6,10H2,1-3H3
InChIKeyPZOHCPSNWIIHNW-UHFFFAOYSA-N
XLogP-0.26
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol (CID 22486530) is 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol is CCC(N)N(CC(C)O)CC(C)O.
What is the InChIKey of 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is PZOHCPSNWIIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-4-9(10)11(5-7(2)12)6-8(3)13/h7-9,12-13H,4-6,10H2,1-3H3.
What are the key properties of 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol?
1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 190.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-aminopropyl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 22486530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).