2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol

C14H31NO — CID 142493286

IUPAC2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol
SMILESCC(C)C(C)(C)N(CCO)CCC(C)(C)C
InChIInChI=1S/C14H31NO/c1-12(2)14(6,7)15(10-11-16)9-8-13(3,4)5/h12,16H,8-11H2,1-7H3
InChIKeyZLGCNRSEBCPBIA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.15
Rot. Bonds6

About 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol

2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol (PubChem CID 142493286) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol
PubChem CID142493286
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol
SMILESCC(C)C(C)(C)N(CCO)CCC(C)(C)C
InChIInChI=1S/C14H31NO/c1-12(2)14(6,7)15(10-11-16)9-8-13(3,4)5/h12,16H,8-11H2,1-7H3
InChIKeyZLGCNRSEBCPBIA-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol?
The IUPAC name of 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol (CID 142493286) is 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol.
What is the SMILES notation for 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol?
The canonical SMILES for 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol is CC(C)C(C)(C)N(CCO)CCC(C)(C)C.
What is the InChIKey of 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol?
The InChIKey is ZLGCNRSEBCPBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)14(6,7)15(10-11-16)9-8-13(3,4)5/h12,16H,8-11H2,1-7H3.
What are the key properties of 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol?
2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol has a molecular weight of 229.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethylbutan-2-yl(3,3-dimethylbutyl)amino]ethanol is sourced from PubChem (CID 142493286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).