2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol

C11H24N2O2 — CID 88513172

IUPAC2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol
SMILESCC(C)CNC/C=C/N(CCO)CCO
InChIInChI=1S/C11H24N2O2/c1-11(2)10-12-4-3-5-13(6-8-14)7-9-15/h3,5,11-12,14-15H,4,6-10H2,1-2H3/b5-3+
InChIKeyMOCYECVUGJKLPF-HWKANZROSA-N
MW216.32 g/mol
LogP0.03
Rot. Bonds9

About 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol

2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol (PubChem CID 88513172) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol
PubChem CID88513172
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol
SMILESCC(C)CNC/C=C/N(CCO)CCO
InChIInChI=1S/C11H24N2O2/c1-11(2)10-12-4-3-5-13(6-8-14)7-9-15/h3,5,11-12,14-15H,4,6-10H2,1-2H3/b5-3+
InChIKeyMOCYECVUGJKLPF-HWKANZROSA-N
XLogP0.03
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-(prop-2-enylamino)ethanol
CID 88111562
2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol
CID 88690436
2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol
CID 88835054
2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol
CID 90451886
2-[[(E)-3-[bis(2-hydroxyethyl)amino]prop-1-enyl]amino]ethanol
CID 140349835
2-[2-Hydroxyethyl-[3-(prop-1-enylamino)propyl]amino]ethanol
CID 149888815
2-[3-Aminoprop-1-enyl(2-hydroxyethyl)amino]ethanol
CID 154274545
2-[3-(2-Hydroxyethylamino)prop-2-enylamino]ethanol
CID 169727544
1-(1-Hydroxyethylamino)ethanol;1-[3-[1-hydroxyethyl(propyl)amino]prop-2-enyl-propylamino]ethanol
CID 173209789
1-(2-Hydroxypropylamino)propan-2-ol;1-[3-[2-hydroxypropyl(propyl)amino]prop-2-enyl-propylamino]propan-2-ol
CID 173209814
2-[2-Hydroxyethyl-[3-(2-methylpropylamino)prop-1-enyl]amino]ethanol
CID 173372778
2-[3-(Dimethylamino)prop-2-enylamino]ethanol
CID 173416143

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol (CID 88513172) is 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol is CC(C)CNC/C=C/N(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol?
The InChIKey is MOCYECVUGJKLPF-HWKANZROSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2)10-12-4-3-5-13(6-8-14)7-9-15/h3,5,11-12,14-15H,4,6-10H2,1-2H3/b5-3+.
What are the key properties of 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol?
2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol has a molecular weight of 216.32 g/mol, XLogP of 0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol is sourced from PubChem (CID 88513172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).