1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol

C15H34N2O2 — CID 19889984

IUPAC1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN(C(C)C)C(C)C)CC(C)O
InChIInChI=1S/C15H34N2O2/c1-12(2)17(13(3)4)9-7-8-16(10-14(5)18)11-15(6)19/h12-15,18-19H,7-11H2,1-6H3
InChIKeyZNEDRUDJJOZKKP-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.56
Rot. Bonds10

About 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol

1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 19889984) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID19889984
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN(C(C)C)C(C)C)CC(C)O
InChIInChI=1S/C15H34N2O2/c1-12(2)17(13(3)4)9-7-8-16(10-14(5)18)11-15(6)19/h12-15,18-19H,7-11H2,1-6H3
InChIKeyZNEDRUDJJOZKKP-UHFFFAOYSA-N
XLogP1.56
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890026
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890035
1-[2-hydroxypropyl(pentyl)amino]butan-2-ol
CID 23423726
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051

Frequently Asked Questions

What is the IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol (CID 19889984) is 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CCCN(C(C)C)C(C)C)CC(C)O.
What is the InChIKey of 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is ZNEDRUDJJOZKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-12(2)17(13(3)4)9-7-8-16(10-14(5)18)11-15(6)19/h12-15,18-19H,7-11H2,1-6H3.
What are the key properties of 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 274.45 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 19889984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).