2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol

C7H16N2O — CID 88690436

IUPAC2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol
SMILESCN(C)/C=C/CNCCO
InChIInChI=1S/C7H16N2O/c1-9(2)6-3-4-8-5-7-10/h3,6,8,10H,4-5,7H2,1-2H3/b6-3+
InChIKeyRDHOYFLEBFBNCR-ZZXKWVIFSA-N
MW144.22 g/mol
LogP-0.36
Rot. Bonds5

About 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol

2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol (PubChem CID 88690436) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol
PubChem CID88690436
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol
SMILESCN(C)/C=C/CNCCO
InChIInChI=1S/C7H16N2O/c1-9(2)6-3-4-8-5-7-10/h3,6,8,10H,4-5,7H2,1-2H3/b6-3+
InChIKeyRDHOYFLEBFBNCR-ZZXKWVIFSA-N
XLogP-0.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol (CID 88690436) is 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol is CN(C)/C=C/CNCCO.
What is the InChIKey of 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol?
The InChIKey is RDHOYFLEBFBNCR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9(2)6-3-4-8-5-7-10/h3,6,8,10H,4-5,7H2,1-2H3/b6-3+.
What are the key properties of 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol?
2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 88690436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).