2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol

C8H20N2O — CID 59966448

IUPAC2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol
SMILESCCCN(C)CN(C)CCO
InChIInChI=1S/C8H20N2O/c1-4-5-9(2)8-10(3)6-7-11/h11H,4-8H2,1-3H3
InChIKeyVWNRVUPETBUYCJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.21
Rot. Bonds6

About 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol

2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol (PubChem CID 59966448) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol
PubChem CID59966448
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol
SMILESCCCN(C)CN(C)CCO
InChIInChI=1S/C8H20N2O/c1-4-5-9(2)8-10(3)6-7-11/h11H,4-8H2,1-3H3
InChIKeyVWNRVUPETBUYCJ-UHFFFAOYSA-N
XLogP0.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.21
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-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol (CID 59966448) is 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol is CCCN(C)CN(C)CCO.
What is the InChIKey of 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol?
The InChIKey is VWNRVUPETBUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-5-9(2)8-10(3)6-7-11/h11H,4-8H2,1-3H3.
What are the key properties of 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol?
2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol has a molecular weight of 160.26 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[methyl(propyl)amino]methyl]amino]ethanol is sourced from PubChem (CID 59966448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).