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

C7H16N2O — CID 145474289

IUPAC2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol
SMILESCNC(C)/C=C\NCCO
InChIInChI=1S/C7H16N2O/c1-7(8-2)3-4-9-5-6-10/h3-4,7-10H,5-6H2,1-2H3/b4-3-
InChIKeyVUFWIJCAKDTSLN-ARJAWSKDSA-N
MW144.22 g/mol
LogP-0.31
Rot. Bonds5

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

2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol (PubChem CID 145474289) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol
PubChem CID145474289
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol
SMILESCNC(C)/C=C\NCCO
InChIInChI=1S/C7H16N2O/c1-7(8-2)3-4-9-5-6-10/h3-4,7-10H,5-6H2,1-2H3/b4-3-
InChIKeyVUFWIJCAKDTSLN-ARJAWSKDSA-N
XLogP-0.31
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.31
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-(methylamino)but-1-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol (CID 145474289) is 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol is CNC(C)/C=C\NCCO.
What is the InChIKey of 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol?
The InChIKey is VUFWIJCAKDTSLN-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(8-2)3-4-9-5-6-10/h3-4,7-10H,5-6H2,1-2H3/b4-3-.
What are the key properties of 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol?
2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-(methylamino)but-1-enyl]amino]ethanol is sourced from PubChem (CID 145474289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).