2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol

C12H22ClNO — CID 24870738

IUPAC2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=C(Cl)CCCC1
InChIInChI=1S/C12H22ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h11,14-15H,4-8H2,1-3H3
InChIKeyVCDORAWUHRPUBS-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.80
Rot. Bonds3

About 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol

2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol (PubChem CID 24870738) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol
PubChem CID24870738
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=C(Cl)CCCC1
InChIInChI=1S/C12H22ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h11,14-15H,4-8H2,1-3H3
InChIKeyVCDORAWUHRPUBS-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol (CID 24870738) is 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol is CC(C)(C)NCC(O)C1=C(Cl)CCCC1.
What is the InChIKey of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol?
The InChIKey is VCDORAWUHRPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h11,14-15H,4-8H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol?
2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol has a molecular weight of 231.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol is sourced from PubChem (CID 24870738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).