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

C9H21NO3 — CID 24730

IUPAC1-[bis(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)CC(C)O
InChIInChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3
InChIKeySLINHMUFWFWBMU-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.57
Rot. Bonds6

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

1-[bis(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 24730) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[bis(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxypropyl)amino]propan-2-ol
PubChem CID24730
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name1-[bis(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)CC(C)O
InChIInChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3
InChIKeySLINHMUFWFWBMU-UHFFFAOYSA-N
XLogP-0.57
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Edetol
CID 7615
2-(Dibutylamino)ethanol
CID 7621
Dimepranol
CID 37511
N-Butyldiethanolamine
CID 7620
1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol
CID 106705
3-(Diethylamino)-1,2-propanediol
CID 79074
2-Propanol, 1-[bis(2-hydroxyethyl)amino]-
CID 97712
2-Propanol, 1,3-bis(dimethylamino)-
CID 22263
2-Propanol, 1,1'-[(2-hydroxyethyl)imino]bis-
CID 66315
2-Propanol, 1-(diethylamino)-
CID 95387
3-[Ethyl(propyl)amino]propane-1,2-diol
CID 81935654
1-Dibutylaminopropan-2-ol
CID 294557

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxypropyl)amino]propan-2-ol (CID 24730) is 1-[bis(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[bis(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is SLINHMUFWFWBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3.
What are the key properties of 1-[bis(2-hydroxypropyl)amino]propan-2-ol?
1-[bis(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 24730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).