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

C13H31N3O — CID 118162058

IUPAC2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
SMILESCCC(N(C)C)N(C(C)CO)C(CC)N(C)C
InChIInChI=1S/C13H31N3O/c1-8-12(14(4)5)16(11(3)10-17)13(9-2)15(6)7/h11-13,17H,8-10H2,1-7H3
InChIKeyXEUSFICITXRSJF-UHFFFAOYSA-N
MW245.41 g/mol
LogP1.26
Rot. Bonds8

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

2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol (PubChem CID 118162058) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
PubChem CID118162058
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
SMILESCCC(N(C)C)N(C(C)CO)C(CC)N(C)C
InChIInChI=1S/C13H31N3O/c1-8-12(14(4)5)16(11(3)10-17)13(9-2)15(6)7/h11-13,17H,8-10H2,1-7H3
InChIKeyXEUSFICITXRSJF-UHFFFAOYSA-N
XLogP1.26
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2,2-bis(dimethylamino)ethanol
CID 57031094
3-[bis[1-(dimethylamino)propyl]amino]propane-1,2-diol
CID 23106300
1-N,1-N,1-N',1-N',3-pentamethylpentane-1,1-diamine
CID 23505022
2-[methyl(pentan-3-yl)amino]propan-1-ol
CID 104554038
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine
CID 175405090
1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethylpropane-1,1,3,3-tetramine
CID 87407012
2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol
CID 155038056
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
butan-2-ol;ethanol
CID 87396559
butan-2-ol;ethanol
CID 174347632
2-[(hydroxyamino)-methylamino]propan-1-ol
CID 123757066

Frequently Asked Questions

What is the IUPAC name of 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol?
The IUPAC name of 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol (CID 118162058) is 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol.
What is the SMILES notation for 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol?
The canonical SMILES for 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol is CCC(N(C)C)N(C(C)CO)C(CC)N(C)C.
What is the InChIKey of 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol?
The InChIKey is XEUSFICITXRSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-8-12(14(4)5)16(11(3)10-17)13(9-2)15(6)7/h11-13,17H,8-10H2,1-7H3.
What are the key properties of 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol?
2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol is sourced from PubChem (CID 118162058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).