2-[(4-tert-butylcyclohexyl)amino]ethanol

C12H25NO — CID 28833013

IUPAC2-[(4-tert-butylcyclohexyl)amino]ethanol
SMILESCC(C)(C)C1CCC(NCCO)CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGLTPKCIAVBLXFT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About 2-[(4-tert-butylcyclohexyl)amino]ethanol

2-[(4-tert-butylcyclohexyl)amino]ethanol (PubChem CID 28833013) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)amino]ethanol
PubChem CID28833013
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(4-tert-butylcyclohexyl)amino]ethanol
SMILESCC(C)(C)C1CCC(NCCO)CC1
InChIInChI=1S/C12H25NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGLTPKCIAVBLXFT-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]ethanol?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]ethanol (CID 28833013) is 2-[(4-tert-butylcyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)amino]ethanol?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)amino]ethanol is CC(C)(C)C1CCC(NCCO)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)amino]ethanol?
The InChIKey is GLTPKCIAVBLXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)amino]ethanol?
2-[(4-tert-butylcyclohexyl)amino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)amino]ethanol is sourced from PubChem (CID 28833013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).