2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol

C8H19N3O — CID 90451886

IUPAC2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol
SMILESCCN(CCO)C(/C=C\N)NC
InChIInChI=1S/C8H19N3O/c1-3-11(6-7-12)8(10-2)4-5-9/h4-5,8,10,12H,3,6-7,9H2,1-2H3/b5-4-
InChIKeyBEVXGQWIPVUIDO-PLNGDYQASA-N
MW173.26 g/mol
LogP-0.68
Rot. Bonds6

About 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol

2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol (PubChem CID 90451886) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol
PubChem CID90451886
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol
SMILESCCN(CCO)C(/C=C\N)NC
InChIInChI=1S/C8H19N3O/c1-3-11(6-7-12)8(10-2)4-5-9/h4-5,8,10,12H,3,6-7,9H2,1-2H3/b5-4-
InChIKeyBEVXGQWIPVUIDO-PLNGDYQASA-N
XLogP-0.68
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethanol
CID 20512840
1-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethanol
CID 21486751
1-[1-[Bis(prop-2-enyl)amino]propylamino]ethanol
CID 23342203
2-Hydroxyethyl-methyl-bis[1-(prop-2-enylamino)ethyl]azanium;methyl sulfate
CID 87065196
2-Hydroxyethyl-methyl-bis[1-(prop-2-enylamino)ethyl]azanium
CID 87065197
2-[2,2-Bis(prop-2-enylamino)ethyl-methylamino]ethanol
CID 87572087
N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide
CID 87752769
N,N-dimethylmethanamine;2-(prop-2-enylamino)ethanol
CID 88111562
(2S)-1,1-bis(prop-2-enylamino)propan-2-ol
CID 88326325
2-[2-hydroxyethyl-[(E)-3-(2-methylpropylamino)prop-1-enyl]amino]ethanol
CID 88513172
1-Hydroxyethyl-dimethyl-[1-(prop-2-enylamino)ethyl]azanium chloride
CID 88626982
2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol
CID 88690436

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol?
The IUPAC name of 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol (CID 90451886) is 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol is CCN(CCO)C(/C=C\N)NC.
What is the InChIKey of 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol?
The InChIKey is BEVXGQWIPVUIDO-PLNGDYQASA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-11(6-7-12)8(10-2)4-5-9/h4-5,8,10,12H,3,6-7,9H2,1-2H3/b5-4-.
What are the key properties of 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol?
2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol has a molecular weight of 173.26 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol is sourced from PubChem (CID 90451886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).