2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol

C5H12N2O — CID 87387433

IUPAC2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
SMILESC/C(N)=C/NCCO
InChIInChI=1S/C5H12N2O/c1-5(6)4-7-2-3-8/h4,7-8H,2-3,6H2,1H3/b5-4-
InChIKeyHOZKUAIQCJUUCA-PLNGDYQASA-N
MW116.16 g/mol
LogP-0.61
Rot. Bonds3

About 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol

2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol (PubChem CID 87387433) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
PubChem CID87387433
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
SMILESC/C(N)=C/NCCO
InChIInChI=1S/C5H12N2O/c1-5(6)4-7-2-3-8/h4,7-8H,2-3,6H2,1H3/b5-4-
InChIKeyHOZKUAIQCJUUCA-PLNGDYQASA-N
XLogP-0.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol
CID 154953448
[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium
CID 169172849
(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol
CID 169172850
2-[(1-Methylethenyl)amino]ethanol
CID 15413083
(Z)-2-(methylamino)prop-1-en-1-ol
CID 59658573
2-(Methylamino)prop-1-en-1-ol
CID 72349705
2-[[(E)-2-aminoethenyl]amino]propan-1-ol
CID 87083532
2-[[(Z)-2-aminobut-2-enyl]amino]ethanol
CID 88714619
2-(2-Aminoprop-2-enylamino)ethanol
CID 88814659
2-(Propylamino)prop-2-en-1-ol
CID 88884742
2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol
CID 88890824
(Z)-2,3-bis(methylamino)prop-2-en-1-ol
CID 88953890

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol (CID 87387433) is 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol is C/C(N)=C/NCCO.
What is the InChIKey of 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol?
The InChIKey is HOZKUAIQCJUUCA-PLNGDYQASA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(6)4-7-2-3-8/h4,7-8H,2-3,6H2,1H3/b5-4-.
What are the key properties of 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol?
2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol has a molecular weight of 116.16 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol is sourced from PubChem (CID 87387433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).