2-[[(2S)-2-methylbut-3-enyl]amino]ethanol

C7H15NO — CID 138660513

IUPAC2-[[(2S)-2-methylbut-3-enyl]amino]ethanol
SMILESC=C[C@H](C)CNCCO
InChIInChI=1S/C7H15NO/c1-3-7(2)6-8-4-5-9/h3,7-9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyOPKMBRSSRZBIOU-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.39
Rot. Bonds5

About 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol

2-[[(2S)-2-methylbut-3-enyl]amino]ethanol (PubChem CID 138660513) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-2-methylbut-3-enyl]amino]ethanol
PubChem CID138660513
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-[[(2S)-2-methylbut-3-enyl]amino]ethanol
SMILESC=C[C@H](C)CNCCO
InChIInChI=1S/C7H15NO/c1-3-7(2)6-8-4-5-9/h3,7-9H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyOPKMBRSSRZBIOU-ZETCQYMHSA-N
XLogP0.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol?
The IUPAC name of 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol (CID 138660513) is 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol?
The canonical SMILES for 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol is C=C[C@H](C)CNCCO.
What is the InChIKey of 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol?
The InChIKey is OPKMBRSSRZBIOU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-7(2)6-8-4-5-9/h3,7-9H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol?
2-[[(2S)-2-methylbut-3-enyl]amino]ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-methylbut-3-enyl]amino]ethanol is sourced from PubChem (CID 138660513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).