2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

C9H20N2O — CID 103069508

IUPAC2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(CC)CCO
InChIInChI=1S/C9H20N2O/c1-4-11(5-6-12)8-9(2)7-10-3/h10,12H,2,4-8H2,1,3H3
InChIKeyLTGNHPZXNPBSDZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.08
Rot. Bonds7

About 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol

2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103069508) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103069508
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNC)CN(CC)CCO
InChIInChI=1S/C9H20N2O/c1-4-11(5-6-12)8-9(2)7-10-3/h10,12H,2,4-8H2,1,3H3
InChIKeyLTGNHPZXNPBSDZ-UHFFFAOYSA-N
XLogP0.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol (CID 103069508) is 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNC)CN(CC)CCO.
What is the InChIKey of 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is LTGNHPZXNPBSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-11(5-6-12)8-9(2)7-10-3/h10,12H,2,4-8H2,1,3H3.
What are the key properties of 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol?
2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103069508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).