2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol

C10H19NO — CID 102676564

IUPAC2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
SMILESC/C=C/CN(CCO)C1CCC1
InChIInChI=1S/C10H19NO/c1-2-3-7-11(8-9-12)10-5-4-6-10/h2-3,10,12H,4-9H2,1H3/b3-2+
InChIKeyGWCLZYVOTFATBJ-NSCUHMNNSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds5

About 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol

2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol (PubChem CID 102676564) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
PubChem CID102676564
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
SMILESC/C=C/CN(CCO)C1CCC1
InChIInChI=1S/C10H19NO/c1-2-3-7-11(8-9-12)10-5-4-6-10/h2-3,10,12H,4-9H2,1H3/b3-2+
InChIKeyGWCLZYVOTFATBJ-NSCUHMNNSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(E)-but-2-enyl]cyclohexanamine
CID 107897735
2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol
CID 62014272
2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol
CID 76890342
2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
CID 60835424
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclopropyl(prop-2-enyl)amino]ethanol
CID 60774782
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
2-[but-2-enyl(cyclopentyl)amino]acetonitrile
CID 77037861
4-[cyclopentyl(2-hydroxyethyl)amino]-2-ethylbut-2-enoic acid
CID 77101656
N-[(E)-but-2-enyl]-N-propyloxan-3-amine
CID 143294392
N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine
CID 12968074
2-[cyclobutyl(3,3-dimethylbutyl)amino]ethanol
CID 102676970

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol (CID 102676564) is 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol is C/C=C/CN(CCO)C1CCC1.
What is the InChIKey of 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol?
The InChIKey is GWCLZYVOTFATBJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-7-11(8-9-12)10-5-4-6-10/h2-3,10,12H,4-9H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol?
2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102676564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).