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

C29H65N5O7 — CID 87435664

IUPAC3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)CCN(CCCO)CCN(CCCO)CCN(CCCO)CCN(CCCO)CCCO
InChIInChI=1S/C29H65N5O7/c35-23-1-8-30(9-2-24-36)15-17-32(12-5-27-39)19-21-34(14-7-29-41)22-20-33(13-6-28-40)18-16-31(10-3-25-37)11-4-26-38/h35-41H,1-29H2
InChIKeyWRGGHZPMYWRIQF-UHFFFAOYSA-N
MW595.87 g/mol
LogP-1.83
Rot. Bonds33

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

3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 87435664) has the molecular formula C29H65N5O7 and a molecular weight of 595.87 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
PubChem CID87435664
Molecular FormulaC29H65N5O7
Molecular Weight595.87 g/mol
Exact Mass595.49
IUPAC Name3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)CCN(CCCO)CCN(CCCO)CCN(CCCO)CCN(CCCO)CCCO
InChIInChI=1S/C29H65N5O7/c35-23-1-8-30(9-2-24-36)15-17-32(12-5-27-39)19-21-34(14-7-29-41)22-20-33(13-6-28-40)18-16-31(10-3-25-37)11-4-26-38/h35-41H,1-29H2
InChIKeyWRGGHZPMYWRIQF-UHFFFAOYSA-N
XLogP-1.83
TPSA157.81 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500595.87
LogP ≤ 5-1.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol (CID 87435664) is 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol is OCCCN(CCCO)CCN(CCCO)CCN(CCCO)CCN(CCCO)CCN(CCCO)CCCO.
What is the InChIKey of 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is WRGGHZPMYWRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H65N5O7/c35-23-1-8-30(9-2-24-36)15-17-32(12-5-27-39)19-21-34(14-7-29-41)22-20-33(13-6-28-40)18-16-31(10-3-25-37)11-4-26-38/h35-41H,1-29H2.
What are the key properties of 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 595.87 g/mol, XLogP of -1.83, 33 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[bis(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 87435664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).