2-[butyl(2-methylidenebutyl)amino]ethanol

C11H23NO — CID 66038306

IUPAC2-[butyl(2-methylidenebutyl)amino]ethanol
SMILESC=C(CC)CN(CCO)CCCC
InChIInChI=1S/C11H23NO/c1-4-6-7-12(8-9-13)10-11(3)5-2/h13H,3-10H2,1-2H3
InChIKeyPQGGUQAIFSJEGN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds8

About 2-[butyl(2-methylidenebutyl)amino]ethanol

2-[butyl(2-methylidenebutyl)amino]ethanol (PubChem CID 66038306) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[butyl(2-methylidenebutyl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(2-methylidenebutyl)amino]ethanol
PubChem CID66038306
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[butyl(2-methylidenebutyl)amino]ethanol
SMILESC=C(CC)CN(CCO)CCCC
InChIInChI=1S/C11H23NO/c1-4-6-7-12(8-9-13)10-11(3)5-2/h13H,3-10H2,1-2H3
InChIKeyPQGGUQAIFSJEGN-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[butyl(2-methylidenebutyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-methylidenebutyl)amino]ethanol?
The IUPAC name of 2-[butyl(2-methylidenebutyl)amino]ethanol (CID 66038306) is 2-[butyl(2-methylidenebutyl)amino]ethanol.
What is the SMILES notation for 2-[butyl(2-methylidenebutyl)amino]ethanol?
The canonical SMILES for 2-[butyl(2-methylidenebutyl)amino]ethanol is C=C(CC)CN(CCO)CCCC.
What is the InChIKey of 2-[butyl(2-methylidenebutyl)amino]ethanol?
The InChIKey is PQGGUQAIFSJEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-7-12(8-9-13)10-11(3)5-2/h13H,3-10H2,1-2H3.
What are the key properties of 2-[butyl(2-methylidenebutyl)amino]ethanol?
2-[butyl(2-methylidenebutyl)amino]ethanol has a molecular weight of 185.31 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-methylidenebutyl)amino]ethanol is sourced from PubChem (CID 66038306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).