2-[butyl(2-methylprop-2-enyl)amino]ethanol

C10H21NO — CID 60689114

IUPAC2-[butyl(2-methylprop-2-enyl)amino]ethanol
SMILESC=C(C)CN(CCO)CCCC
InChIInChI=1S/C10H21NO/c1-4-5-6-11(7-8-12)9-10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyJAMSLLJKJZICQO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds7

About 2-[butyl(2-methylprop-2-enyl)amino]ethanol

2-[butyl(2-methylprop-2-enyl)amino]ethanol (PubChem CID 60689114) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[butyl(2-methylprop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(2-methylprop-2-enyl)amino]ethanol
PubChem CID60689114
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[butyl(2-methylprop-2-enyl)amino]ethanol
SMILESC=C(C)CN(CCO)CCCC
InChIInChI=1S/C10H21NO/c1-4-5-6-11(7-8-12)9-10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyJAMSLLJKJZICQO-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
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-[butyl(2-methylprop-2-enyl)amino]ethanol?
The IUPAC name of 2-[butyl(2-methylprop-2-enyl)amino]ethanol (CID 60689114) is 2-[butyl(2-methylprop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[butyl(2-methylprop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[butyl(2-methylprop-2-enyl)amino]ethanol is C=C(C)CN(CCO)CCCC.
What is the InChIKey of 2-[butyl(2-methylprop-2-enyl)amino]ethanol?
The InChIKey is JAMSLLJKJZICQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-11(7-8-12)9-10(2)3/h12H,2,4-9H2,1,3H3.
What are the key properties of 2-[butyl(2-methylprop-2-enyl)amino]ethanol?
2-[butyl(2-methylprop-2-enyl)amino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-methylprop-2-enyl)amino]ethanol is sourced from PubChem (CID 60689114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).