1-[bis(prop-2-enyl)amino]ethanol;hydrochloride

C8H16ClNO — CID 23324336

IUPAC1-[bis(prop-2-enyl)amino]ethanol;hydrochloride
SMILESC=CCN(CC=C)C(C)O.Cl
InChIInChI=1S/C8H15NO.ClH/c1-4-6-9(7-5-2)8(3)10;/h4-5,8,10H,1-2,6-7H2,3H3;1H
InChIKeyAIVVPXBETYKMLJ-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.42
Rot. Bonds5

About 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride

1-[bis(prop-2-enyl)amino]ethanol;hydrochloride (PubChem CID 23324336) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]ethanol;hydrochloride
PubChem CID23324336
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-[bis(prop-2-enyl)amino]ethanol;hydrochloride
SMILESC=CCN(CC=C)C(C)O.Cl
InChIInChI=1S/C8H15NO.ClH/c1-4-6-9(7-5-2)8(3)10;/h4-5,8,10H,1-2,6-7H2,3H3;1H
InChIKeyAIVVPXBETYKMLJ-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride?
The IUPAC name of 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride (CID 23324336) is 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride is C=CCN(CC=C)C(C)O.Cl.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride?
The InChIKey is AIVVPXBETYKMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-4-6-9(7-5-2)8(3)10;/h4-5,8,10H,1-2,6-7H2,3H3;1H.
What are the key properties of 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride?
1-[bis(prop-2-enyl)amino]ethanol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 23324336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).