2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol

C10H21NO — CID 88885309

IUPAC2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol
SMILESC=C(N(CC)CCO)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-11(7-8-12)9(2)10(3,4)5/h12H,2,6-8H2,1,3-5H3
InChIKeyOKOGEWXMKQOHJX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.86
Rot. Bonds4

About 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol

2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol (PubChem CID 88885309) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol
PubChem CID88885309
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol
SMILESC=C(N(CC)CCO)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-11(7-8-12)9(2)10(3,4)5/h12H,2,6-8H2,1,3-5H3
InChIKeyOKOGEWXMKQOHJX-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3,3-dimethylbut-1-en-2-yl(ethyl)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-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol?
The IUPAC name of 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol (CID 88885309) is 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol?
The canonical SMILES for 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol is C=C(N(CC)CCO)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol?
The InChIKey is OKOGEWXMKQOHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-11(7-8-12)9(2)10(3,4)5/h12H,2,6-8H2,1,3-5H3.
What are the key properties of 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol?
2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbut-1-en-2-yl(ethyl)amino]ethanol is sourced from PubChem (CID 88885309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).