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

C12H23NO — CID 10397813

IUPAC2-[bis(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(CC=C(C)C)CCO
InChIInChI=1S/C12H23NO/c1-11(2)5-7-13(9-10-14)8-6-12(3)4/h5-6,14H,7-10H2,1-4H3
InChIKeyRULPKNQEEMVTLP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds6

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

2-[bis(3-methylbut-2-enyl)amino]ethanol (PubChem CID 10397813) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[bis(3-methylbut-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(3-methylbut-2-enyl)amino]ethanol
PubChem CID10397813
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[bis(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(CC=C(C)C)CCO
InChIInChI=1S/C12H23NO/c1-11(2)5-7-13(9-10-14)8-6-12(3)4/h5-6,14H,7-10H2,1-4H3
InChIKeyRULPKNQEEMVTLP-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
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-[bis(3-methylbut-2-enyl)amino]ethanol?
The IUPAC name of 2-[bis(3-methylbut-2-enyl)amino]ethanol (CID 10397813) is 2-[bis(3-methylbut-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[bis(3-methylbut-2-enyl)amino]ethanol?
The canonical SMILES for 2-[bis(3-methylbut-2-enyl)amino]ethanol is CC(C)=CCN(CC=C(C)C)CCO.
What is the InChIKey of 2-[bis(3-methylbut-2-enyl)amino]ethanol?
The InChIKey is RULPKNQEEMVTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)5-7-13(9-10-14)8-6-12(3)4/h5-6,14H,7-10H2,1-4H3.
What are the key properties of 2-[bis(3-methylbut-2-enyl)amino]ethanol?
2-[bis(3-methylbut-2-enyl)amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-methylbut-2-enyl)amino]ethanol is sourced from PubChem (CID 10397813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).