3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol

C11H26N2O2 — CID 12721803

IUPAC3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCCN(C)CCCO
InChIInChI=1S/C11H26N2O2/c1-12(8-4-10-14)6-3-7-13(2)9-5-11-15/h14-15H,3-11H2,1-2H3
InChIKeyHATGVANQYVSMKH-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.00
Rot. Bonds10

About 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol

3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol (PubChem CID 12721803) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol
PubChem CID12721803
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCCN(C)CCCO
InChIInChI=1S/C11H26N2O2/c1-12(8-4-10-14)6-3-7-13(2)9-5-11-15/h14-15H,3-11H2,1-2H3
InChIKeyHATGVANQYVSMKH-UHFFFAOYSA-N
XLogP0.00
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol?
The IUPAC name of 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol (CID 12721803) is 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol is CN(CCCO)CCCN(C)CCCO.
What is the InChIKey of 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol?
The InChIKey is HATGVANQYVSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-12(8-4-10-14)6-3-7-13(2)9-5-11-15/h14-15H,3-11H2,1-2H3.
What are the key properties of 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol?
3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-hydroxypropyl(methyl)amino]propyl-methylamino]propan-1-ol is sourced from PubChem (CID 12721803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).