2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol

C8H18N2O — CID 126536249

IUPAC2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol
SMILESC=C(C)CNCCNCCO
InChIInChI=1S/C8H18N2O/c1-8(2)7-10-4-3-9-5-6-11/h9-11H,1,3-7H2,2H3
InChIKeyJSQKBDADPHFCEY-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.27
Rot. Bonds7

About 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol

2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol (PubChem CID 126536249) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol
PubChem CID126536249
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol
SMILESC=C(C)CNCCNCCO
InChIInChI=1S/C8H18N2O/c1-8(2)7-10-4-3-9-5-6-11/h9-11H,1,3-7H2,2H3
InChIKeyJSQKBDADPHFCEY-UHFFFAOYSA-N
XLogP-0.27
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol (CID 126536249) is 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol is C=C(C)CNCCNCCO.
What is the InChIKey of 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol?
The InChIKey is JSQKBDADPHFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2)7-10-4-3-9-5-6-11/h9-11H,1,3-7H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol?
2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol has a molecular weight of 158.24 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enylamino)ethylamino]ethanol is sourced from PubChem (CID 126536249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).