3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol

C18H42N4O2 — CID 18183756

IUPAC3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESCN(C)CCCN(CCCN(C)C)CCN(CCCO)CCCO
InChIInChI=1S/C18H42N4O2/c1-19(2)9-5-11-21(12-6-10-20(3)4)15-16-22(13-7-17-23)14-8-18-24/h23-24H,5-18H2,1-4H3
InChIKeyUBSQCMAGNPMFDL-UHFFFAOYSA-N
MW346.56 g/mol
LogP0.26
Rot. Bonds17

About 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol

3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 18183756) has the molecular formula C18H42N4O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
PubChem CID18183756
Molecular FormulaC18H42N4O2
Molecular Weight346.56 g/mol
Exact Mass346.33
IUPAC Name3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESCN(C)CCCN(CCCN(C)C)CCN(CCCO)CCCO
InChIInChI=1S/C18H42N4O2/c1-19(2)9-5-11-21(12-6-10-20(3)4)15-16-22(13-7-17-23)14-8-18-24/h23-24H,5-18H2,1-4H3
InChIKeyUBSQCMAGNPMFDL-UHFFFAOYSA-N
XLogP0.26
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-((2-(Dimethylamino)ethyl)(methyl)amino)propan-1-ol
CID 547315
3,3',3'',3'''-(((3-Hydroxypropyl)imino)bis(ethylenenitrilo))tetrapropanol
CID 88067
3,3',3'',3'''-(Ethane-1,2-diylbis(azanetriyl))tetrakis(propan-1-ol)
CID 332247
3,3'-[Ethane-1,2-diylbis(methylazanediyl)]di(propan-1-ol)
CID 14043735
2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetra(ethan-1-ol)
CID 23422494
Tetrakis-hydroxypropyl-propylenediamine
CID 129670840
Bis(3-[4,8,11-tris(3-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propan-1-ol);octahydrate
CID 139153303
3-{[2-(Diethylamino)ethyl](methyl)amino}propan-1-OL
CID 12721794
N,N'-dimethyl-N,N'-bis(3-hydroxypropyl)-1,3-diaminopropane
CID 12721803
2,2',2'',2'''-(1,4,8,12-Tetraazacyclopentadecane-1,4,8,12-tetrayl)tetra(ethan-1-ol)
CID 15776571
2-[Butyl-[2-[butyl-[2-[butyl-[2-[butyl(2-hydroxyethyl)amino]ethyl]amino]ethyl]amino]ethyl]amino]ethanol
CID 17801516
1-[Butyl-[2-[butyl-[2-[butyl(1-hydroxyethyl)amino]ethyl]amino]ethyl]amino]ethanol
CID 17801519

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol (CID 18183756) is 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol is CN(C)CCCN(CCCN(C)C)CCN(CCCO)CCCO.
What is the InChIKey of 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is UBSQCMAGNPMFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O2/c1-19(2)9-5-11-21(12-6-10-20(3)4)15-16-22(13-7-17-23)14-8-18-24/h23-24H,5-18H2,1-4H3.
What are the key properties of 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 346.56 g/mol, XLogP of 0.26, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[3-(dimethylamino)propyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 18183756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).