2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane

C8H20N2O — CID 143885979

IUPAC2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane
SMILESCC.CC(N)/C=C\NCCO
InChIInChI=1S/C6H14N2O.C2H6/c1-6(7)2-3-8-4-5-9;1-2/h2-3,6,8-9H,4-5,7H2,1H3;1-2H3/b3-2-;
InChIKeyQGQUCZRBINWGGR-OLGQORCHSA-N
MW160.26 g/mol
LogP0.46
Rot. Bonds4

About 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane

2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane (PubChem CID 143885979) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane.

Molecular Properties

Compound Name2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane
PubChem CID143885979
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane
SMILESCC.CC(N)/C=C\NCCO
InChIInChI=1S/C6H14N2O.C2H6/c1-6(7)2-3-8-4-5-9;1-2/h2-3,6,8-9H,4-5,7H2,1H3;1-2H3/b3-2-;
InChIKeyQGQUCZRBINWGGR-OLGQORCHSA-N
XLogP0.46
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane?
The IUPAC name of 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane (CID 143885979) is 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane.
What is the SMILES notation for 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane?
The canonical SMILES for 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane is CC.CC(N)/C=C\NCCO.
What is the InChIKey of 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane?
The InChIKey is QGQUCZRBINWGGR-OLGQORCHSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-6(7)2-3-8-4-5-9;1-2/h2-3,6,8-9H,4-5,7H2,1H3;1-2H3/b3-2-;.
What are the key properties of 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane?
2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane has a molecular weight of 160.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-aminobut-1-enyl]amino]ethanol;ethane is sourced from PubChem (CID 143885979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).