2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol

C13H31N3O2 — CID 87398959

IUPAC2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol
SMILESCN(C)CCCN(CCCN(C)C)C(CO)CO
InChIInChI=1S/C13H31N3O2/c1-14(2)7-5-9-16(13(11-17)12-18)10-6-8-15(3)4/h13,17-18H,5-12H2,1-4H3
InChIKeyMLURNQSAKRMNDB-UHFFFAOYSA-N
MW261.41 g/mol
LogP-0.46
Rot. Bonds11

About 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol

2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol (PubChem CID 87398959) has the molecular formula C13H31N3O2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol
PubChem CID87398959
Molecular FormulaC13H31N3O2
Molecular Weight261.41 g/mol
Exact Mass261.24
IUPAC Name2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol
SMILESCN(C)CCCN(CCCN(C)C)C(CO)CO
InChIInChI=1S/C13H31N3O2/c1-14(2)7-5-9-16(13(11-17)12-18)10-6-8-15(3)4/h13,17-18H,5-12H2,1-4H3
InChIKeyMLURNQSAKRMNDB-UHFFFAOYSA-N
XLogP-0.46
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol?
The IUPAC name of 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol (CID 87398959) is 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol is CN(C)CCCN(CCCN(C)C)C(CO)CO.
What is the InChIKey of 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol?
The InChIKey is MLURNQSAKRMNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O2/c1-14(2)7-5-9-16(13(11-17)12-18)10-6-8-15(3)4/h13,17-18H,5-12H2,1-4H3.
What are the key properties of 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol?
2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol has a molecular weight of 261.41 g/mol, XLogP of -0.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol is sourced from PubChem (CID 87398959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).