2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol

C10H23NO3 — CID 106452373

IUPAC2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol
SMILESCC(C)COCCNC(C)(CO)CO
InChIInChI=1S/C10H23NO3/c1-9(2)6-14-5-4-11-10(3,7-12)8-13/h9,11-13H,4-8H2,1-3H3
InChIKeyBYOPUQJJVVUBEN-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.01
Rot. Bonds8

About 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol

2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol (PubChem CID 106452373) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol
PubChem CID106452373
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol
SMILESCC(C)COCCNC(C)(CO)CO
InChIInChI=1S/C10H23NO3/c1-9(2)6-14-5-4-11-10(3,7-12)8-13/h9,11-13H,4-8H2,1-3H3
InChIKeyBYOPUQJJVVUBEN-UHFFFAOYSA-N
XLogP-0.01
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.01
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

2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2,2,3-trimethyl-3-[2-(2-methylpropoxy)ethylamino]butanoic acid
CID 106454728
2-(ethylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450767
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450699
4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 82009789
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
CID 106451757
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448661
N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 106453519
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol (CID 106452373) is 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol is CC(C)COCCNC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol?
The InChIKey is BYOPUQJJVVUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-9(2)6-14-5-4-11-10(3,7-12)8-13/h9,11-13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol?
2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol has a molecular weight of 205.30 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol is sourced from PubChem (CID 106452373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).