1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol

C11H22N2O — CID 87932033

IUPAC1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
SMILESC=CCN(CC=C)C(C)N(C)C(C)O
InChIInChI=1S/C11H22N2O/c1-6-8-13(9-7-2)10(3)12(5)11(4)14/h6-7,10-11,14H,1-2,8-9H2,3-5H3
InChIKeySGPHHHYRHCVYHN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.28
Rot. Bonds7

About 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol

1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol (PubChem CID 87932033) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
PubChem CID87932033
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
SMILESC=CCN(CC=C)C(C)N(C)C(C)O
InChIInChI=1S/C11H22N2O/c1-6-8-13(9-7-2)10(3)12(5)11(4)14/h6-7,10-11,14H,1-2,8-9H2,3-5H3
InChIKeySGPHHHYRHCVYHN-UHFFFAOYSA-N
XLogP1.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

Diallylaminoethanol
CID 20437808
1-Hydroxyethyl-dimethyl-prop-2-enylazanium
CID 21429945
1,1-Bis[bis(prop-2-enyl)amino]propan-2-ol
CID 22414089
1-[Bis(prop-2-enyl)amino]ethanol;hydrochloride
CID 23324336
1-[1-[Bis(prop-2-enyl)amino]propylamino]ethanol
CID 23342203
1-[Ethyl(methyl)amino]-1-[ethyl(prop-2-enyl)amino]propan-2-ol
CID 23520467
Diallyldimethylammonium chloride vinyl alcohol
CID 86760082
2-Hydroxyethyl-methyl-bis[1-(prop-2-enylamino)ethyl]azanium
CID 87065197
Bis(1-hydroxyethyl)-methyl-prop-2-enylazanium
CID 87148515
1-Hydroxyethyl-tris(prop-2-enyl)azanium
CID 87576929
1,1-Bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 87802517
1-[1-[Bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol
CID 87843665

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
The IUPAC name of 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol (CID 87932033) is 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol.
What is the SMILES notation for 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
The canonical SMILES for 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol is C=CCN(CC=C)C(C)N(C)C(C)O.
What is the InChIKey of 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
The InChIKey is SGPHHHYRHCVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-8-13(9-7-2)10(3)12(5)11(4)14/h6-7,10-11,14H,1-2,8-9H2,3-5H3.
What are the key properties of 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol?
1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol is sourced from PubChem (CID 87932033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).