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

C8H17NO — CID 60683958

IUPAC2-[methyl(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(C)CCO
InChIInChI=1S/C8H17NO/c1-8(2)4-5-9(3)6-7-10/h4,10H,5-7H2,1-3H3
InChIKeyMRMXXVUJOWHKMB-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds4

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

2-[methyl(3-methylbut-2-enyl)amino]ethanol (PubChem CID 60683958) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[methyl(3-methylbut-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(3-methylbut-2-enyl)amino]ethanol
PubChem CID60683958
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[methyl(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(C)CCO
InChIInChI=1S/C8H17NO/c1-8(2)4-5-9(3)6-7-10/h4,10H,5-7H2,1-3H3
InChIKeyMRMXXVUJOWHKMB-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbut-2-enyl)amino]ethanol?
The IUPAC name of 2-[methyl(3-methylbut-2-enyl)amino]ethanol (CID 60683958) is 2-[methyl(3-methylbut-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(3-methylbut-2-enyl)amino]ethanol?
The canonical SMILES for 2-[methyl(3-methylbut-2-enyl)amino]ethanol is CC(C)=CCN(C)CCO.
What is the InChIKey of 2-[methyl(3-methylbut-2-enyl)amino]ethanol?
The InChIKey is MRMXXVUJOWHKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-5-9(3)6-7-10/h4,10H,5-7H2,1-3H3.
What are the key properties of 2-[methyl(3-methylbut-2-enyl)amino]ethanol?
2-[methyl(3-methylbut-2-enyl)amino]ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbut-2-enyl)amino]ethanol is sourced from PubChem (CID 60683958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).