2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol

C8H18N2O — CID 103069511

IUPAC2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol
SMILESC=C(CN)CN(CC)CCO
InChIInChI=1S/C8H18N2O/c1-3-10(4-5-11)7-8(2)6-9/h11H,2-7,9H2,1H3
InChIKeyXAWFETWIYVXFJJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.18
Rot. Bonds6

About 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol

2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol (PubChem CID 103069511) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol
PubChem CID103069511
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol
SMILESC=C(CN)CN(CC)CCO
InChIInChI=1S/C8H18N2O/c1-3-10(4-5-11)7-8(2)6-9/h11H,2-7,9H2,1H3
InChIKeyXAWFETWIYVXFJJ-UHFFFAOYSA-N
XLogP-0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol (CID 103069511) is 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol is C=C(CN)CN(CC)CCO.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol?
The InChIKey is XAWFETWIYVXFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10(4-5-11)7-8(2)6-9/h11H,2-7,9H2,1H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol?
2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol has a molecular weight of 158.24 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl-ethylamino]ethanol is sourced from PubChem (CID 103069511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).