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

C11H26N2O2 — CID 87581413

IUPAC1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESCC(O)CN(CCCN(C)C)C[C@@H](C)O
InChIInChI=1S/C11H26N2O2/c1-10(14)8-13(9-11(2)15)7-5-6-12(3)4/h10-11,14-15H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyFFCUXTGIVGMUKC-NFJWQWPMSA-N
MW218.34 g/mol
LogP0.00
Rot. Bonds8

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

1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 87581413) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID87581413
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
SMILESCC(O)CN(CCCN(C)C)C[C@@H](C)O
InChIInChI=1S/C11H26N2O2/c1-10(14)8-13(9-11(2)15)7-5-6-12(3)4/h10-11,14-15H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyFFCUXTGIVGMUKC-NFJWQWPMSA-N
XLogP0.00
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.00
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-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889984
1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890026
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-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
1-[3-(dimethylamino)propyl-(2-hydroxyoctadecyl)amino]nonadecan-2-ol
CID 86567590
S-[3-[5-[bis(2-hydroxypropyl)amino]pentanoylsulfanyl]butan-2-yl] 5-[bis(2-hydroxypropyl)amino]pentanethioate
CID 170393017
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol (CID 87581413) is 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol is CC(O)CN(CCCN(C)C)C[C@@H](C)O.
What is the InChIKey of 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is FFCUXTGIVGMUKC-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-10(14)8-13(9-11(2)15)7-5-6-12(3)4/h10-11,14-15H,5-9H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol?
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 87581413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).