2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol

C10H24N2O — CID 173204484

IUPAC2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol
SMILESCC(C)N(CN(C)CCO)C(C)C
InChIInChI=1S/C10H24N2O/c1-9(2)12(10(3)4)8-11(5)6-7-13/h9-10,13H,6-8H2,1-5H3
InChIKeyPADHFCCVLPNWRH-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.99
Rot. Bonds6

About 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol

2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol (PubChem CID 173204484) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol
PubChem CID173204484
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol
SMILESCC(C)N(CN(C)CCO)C(C)C
InChIInChI=1S/C10H24N2O/c1-9(2)12(10(3)4)8-11(5)6-7-13/h9-10,13H,6-8H2,1-5H3
InChIKeyPADHFCCVLPNWRH-UHFFFAOYSA-N
XLogP0.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol?
The IUPAC name of 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol (CID 173204484) is 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol is CC(C)N(CN(C)CCO)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol?
The InChIKey is PADHFCCVLPNWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(2)12(10(3)4)8-11(5)6-7-13/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol?
2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol has a molecular weight of 188.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]methyl-methylamino]ethanol is sourced from PubChem (CID 173204484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).