2-(3-methylbut-3-enylamino)ethanol

C7H15NO — CID 22722980

IUPAC2-(3-methylbut-3-enylamino)ethanol
SMILESC=C(C)CCNCCO
InChIInChI=1S/C7H15NO/c1-7(2)3-4-8-5-6-9/h8-9H,1,3-6H2,2H3
InChIKeyPBJVAIGEBBMUQO-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.53
Rot. Bonds5

About 2-(3-methylbut-3-enylamino)ethanol

2-(3-methylbut-3-enylamino)ethanol (PubChem CID 22722980) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(3-methylbut-3-enylamino)ethanol.

Molecular Properties

Compound Name2-(3-methylbut-3-enylamino)ethanol
PubChem CID22722980
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(3-methylbut-3-enylamino)ethanol
SMILESC=C(C)CCNCCO
InChIInChI=1S/C7H15NO/c1-7(2)3-4-8-5-6-9/h8-9H,1,3-6H2,2H3
InChIKeyPBJVAIGEBBMUQO-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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-(3-methylbut-3-enylamino)ethanol?
The IUPAC name of 2-(3-methylbut-3-enylamino)ethanol (CID 22722980) is 2-(3-methylbut-3-enylamino)ethanol.
What is the SMILES notation for 2-(3-methylbut-3-enylamino)ethanol?
The canonical SMILES for 2-(3-methylbut-3-enylamino)ethanol is C=C(C)CCNCCO.
What is the InChIKey of 2-(3-methylbut-3-enylamino)ethanol?
The InChIKey is PBJVAIGEBBMUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)3-4-8-5-6-9/h8-9H,1,3-6H2,2H3.
What are the key properties of 2-(3-methylbut-3-enylamino)ethanol?
2-(3-methylbut-3-enylamino)ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enylamino)ethanol is sourced from PubChem (CID 22722980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).