2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol

C12H26N2O2 — CID 142202248

IUPAC2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol
SMILESC/C=C(\C)CNCCCN(CCO)CCO
InChIInChI=1S/C12H26N2O2/c1-3-12(2)11-13-5-4-6-14(7-9-15)8-10-16/h3,13,15-16H,4-11H2,1-2H3/b12-3+
InChIKeyJVHWPULKIUCHJM-KGVSQERTSA-N
MW230.35 g/mol
LogP0.22
Rot. Bonds10

About 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol

2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol (PubChem CID 142202248) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol
PubChem CID142202248
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol
SMILESC/C=C(\C)CNCCCN(CCO)CCO
InChIInChI=1S/C12H26N2O2/c1-3-12(2)11-13-5-4-6-14(7-9-15)8-10-16/h3,13,15-16H,4-11H2,1-2H3/b12-3+
InChIKeyJVHWPULKIUCHJM-KGVSQERTSA-N
XLogP0.22
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol (CID 142202248) is 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol is C/C=C(\C)CNCCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol?
The InChIKey is JVHWPULKIUCHJM-KGVSQERTSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-12(2)11-13-5-4-6-14(7-9-15)8-10-16/h3,13,15-16H,4-11H2,1-2H3/b12-3+.
What are the key properties of 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol has a molecular weight of 230.35 g/mol, XLogP of 0.22, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-[[(E)-2-methylbut-2-enyl]amino]propyl]amino]ethanol is sourced from PubChem (CID 142202248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).