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

C11H25NO2 — CID 22468360

IUPAC1-[2-hydroxypropyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(CC(C)O)CC(C)O
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-12(8-10(2)13)9-11(3)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyFMCAWMPNLUZDNF-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.24
Rot. Bonds8

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

1-[2-hydroxypropyl(pentyl)amino]propan-2-ol (PubChem CID 22468360) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl(pentyl)amino]propan-2-ol
PubChem CID22468360
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-[2-hydroxypropyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(CC(C)O)CC(C)O
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-12(8-10(2)13)9-11(3)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyFMCAWMPNLUZDNF-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol (CID 22468360) is 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol is CCCCCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol?
The InChIKey is FMCAWMPNLUZDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-6-7-12(8-10(2)13)9-11(3)14/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol?
1-[2-hydroxypropyl(pentyl)amino]propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(pentyl)amino]propan-2-ol is sourced from PubChem (CID 22468360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).