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

C9H21NO2 — CID 4149664

IUPAC1-[2-hydroxypropyl(propyl)amino]propan-2-ol
SMILESCCCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H21NO2/c1-4-5-10(6-8(2)11)7-9(3)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyVSUZYIMAWHNPOP-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.46
Rot. Bonds6

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

1-[2-hydroxypropyl(propyl)amino]propan-2-ol (PubChem CID 4149664) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(propyl)amino]propan-2-ol
PubChem CID4149664
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-[2-hydroxypropyl(propyl)amino]propan-2-ol
SMILESCCCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H21NO2/c1-4-5-10(6-8(2)11)7-9(3)12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyVSUZYIMAWHNPOP-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(propyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(propyl)amino]propan-2-ol (CID 4149664) is 1-[2-hydroxypropyl(propyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(propyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(propyl)amino]propan-2-ol is CCCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(propyl)amino]propan-2-ol?
The InChIKey is VSUZYIMAWHNPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-5-10(6-8(2)11)7-9(3)12/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 1-[2-hydroxypropyl(propyl)amino]propan-2-ol?
1-[2-hydroxypropyl(propyl)amino]propan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(propyl)amino]propan-2-ol is sourced from PubChem (CID 4149664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).