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

C27H60N4O6 — CID 176699936

IUPAC3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)CCCN(CCCN(CCCO)CCCO)CCCN(CCCO)CCCO
InChIInChI=1S/C27H60N4O6/c32-22-4-16-29(17-5-23-33)13-1-10-28(11-2-14-30(18-6-24-34)19-7-25-35)12-3-15-31(20-8-26-36)21-9-27-37/h32-37H,1-27H2
InChIKeyJRTVPGLCNBFMDQ-UHFFFAOYSA-N
MW536.80 g/mol
LogP-0.34
Rot. Bonds30

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

3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 176699936) has the molecular formula C27H60N4O6 and a molecular weight of 536.80 g/mol. Its IUPAC name is 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
PubChem CID176699936
Molecular FormulaC27H60N4O6
Molecular Weight536.80 g/mol
Exact Mass536.45
IUPAC Name3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)CCCN(CCCN(CCCO)CCCO)CCCN(CCCO)CCCO
InChIInChI=1S/C27H60N4O6/c32-22-4-16-29(17-5-23-33)13-1-10-28(11-2-14-30(18-6-24-34)19-7-25-35)12-3-15-31(20-8-26-36)21-9-27-37/h32-37H,1-27H2
InChIKeyJRTVPGLCNBFMDQ-UHFFFAOYSA-N
XLogP-0.34
TPSA134.34 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.80
LogP ≤ 5-0.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol with MolForge

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Related Compounds

3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
3-[bis(3-hydroxypropyl)amino]propan-1-ol;boric acid
CID 87147461
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
3-[bis(3-sulfanylpropyl)amino]propan-1-ol
CID 87063697
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
3-[decyl(propyl)amino]propan-1-ol
CID 13122229
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
3-(dimethylamino)propan-1-ol;ethane
CID 142056104

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol (CID 176699936) is 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol is OCCCN(CCCO)CCCN(CCCN(CCCO)CCCO)CCCN(CCCO)CCCO.
What is the InChIKey of 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is JRTVPGLCNBFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H60N4O6/c32-22-4-16-29(17-5-23-33)13-1-10-28(11-2-14-30(18-6-24-34)19-7-25-35)12-3-15-31(20-8-26-36)21-9-27-37/h32-37H,1-27H2.
What are the key properties of 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol?
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 536.80 g/mol, XLogP of -0.34, 30 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 176699936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).