2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol

C14H29NO — CID 144687435

IUPAC2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol
SMILESC=C(NCCO)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-11(15-8-9-16)12(14(5,6)7)10-13(2,3)4/h12,15-16H,1,8-10H2,2-7H3
InChIKeyJDUAIFZLARJIIY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.18
Rot. Bonds5

About 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol

2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol (PubChem CID 144687435) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol
PubChem CID144687435
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol
SMILESC=C(NCCO)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-11(15-8-9-16)12(14(5,6)7)10-13(2,3)4/h12,15-16H,1,8-10H2,2-7H3
InChIKeyJDUAIFZLARJIIY-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol?
The IUPAC name of 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol (CID 144687435) is 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol?
The canonical SMILES for 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol is C=C(NCCO)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol?
The InChIKey is JDUAIFZLARJIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(15-8-9-16)12(14(5,6)7)10-13(2,3)4/h12,15-16H,1,8-10H2,2-7H3.
What are the key properties of 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol?
2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol has a molecular weight of 227.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]ethanol is sourced from PubChem (CID 144687435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).