3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol

C19H44N4O2 — CID 87444376

IUPAC3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESCN(C)CCCN(CCCN(C)C)CCCN(CCCO)CCCO
InChIInChI=1S/C19H44N4O2/c1-20(2)10-5-12-22(13-6-11-21(3)4)14-7-15-23(16-8-18-24)17-9-19-25/h24-25H,5-19H2,1-4H3
InChIKeyRPXPTOXLCOWJEX-UHFFFAOYSA-N
MW360.59 g/mol
LogP0.65
Rot. Bonds18

About 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol

3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 87444376) has the molecular formula C19H44N4O2 and a molecular weight of 360.59 g/mol. Its IUPAC name is 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
PubChem CID87444376
Molecular FormulaC19H44N4O2
Molecular Weight360.59 g/mol
Exact Mass360.35
IUPAC Name3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESCN(C)CCCN(CCCN(C)C)CCCN(CCCO)CCCO
InChIInChI=1S/C19H44N4O2/c1-20(2)10-5-12-22(13-6-11-21(3)4)14-7-15-23(16-8-18-24)17-9-19-25/h24-25H,5-19H2,1-4H3
InChIKeyRPXPTOXLCOWJEX-UHFFFAOYSA-N
XLogP0.65
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol (CID 87444376) is 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol is CN(C)CCCN(CCCN(C)C)CCCN(CCCO)CCCO.
What is the InChIKey of 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is RPXPTOXLCOWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N4O2/c1-20(2)10-5-12-22(13-6-11-21(3)4)14-7-15-23(16-8-18-24)17-9-19-25/h24-25H,5-19H2,1-4H3.
What are the key properties of 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 360.59 g/mol, XLogP of 0.65, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis[3-(dimethylamino)propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 87444376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).