3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol

C11H26N2O2 — CID 76891683

IUPAC3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
SMILESCC(C)N(CCNCC(O)CO)C(C)C
InChIInChI=1S/C11H26N2O2/c1-9(2)13(10(3)4)6-5-12-7-11(15)8-14/h9-12,14-15H,5-8H2,1-4H3
InChIKeyNLJPYSDDNHRJMC-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.05
Rot. Bonds8

About 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol

3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol (PubChem CID 76891683) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
PubChem CID76891683
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
SMILESCC(C)N(CCNCC(O)CO)C(C)C
InChIInChI=1S/C11H26N2O2/c1-9(2)13(10(3)4)6-5-12-7-11(15)8-14/h9-12,14-15H,5-8H2,1-4H3
InChIKeyNLJPYSDDNHRJMC-UHFFFAOYSA-N
XLogP0.05
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol
CID 89396769
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60665958
3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
CID 43538375
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
5-[2-[di(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 62228638
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
(2R)-3-(2-chloroethylamino)propane-1,2-diol
CID 125498266
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
N-(2,2-diethoxyethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 81094464
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013

Frequently Asked Questions

What is the IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol?
The IUPAC name of 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol (CID 76891683) is 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol is CC(C)N(CCNCC(O)CO)C(C)C.
What is the InChIKey of 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol?
The InChIKey is NLJPYSDDNHRJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-9(2)13(10(3)4)6-5-12-7-11(15)8-14/h9-12,14-15H,5-8H2,1-4H3.
What are the key properties of 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol?
3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol has a molecular weight of 218.34 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol is sourced from PubChem (CID 76891683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).