(2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide

C16H27NO — CID 141045881

IUPAC(2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide
SMILESCC1CCCC(C[NH3+])(c2ccccc2)C1(C)C.[OH-]
InChIInChI=1S/C16H25N.H2O/c1-13-8-7-11-16(12-17,15(13,2)3)14-9-5-4-6-10-14;/h4-6,9-10,13H,7-8,11-12,17H2,1-3H3;1H2
InChIKeyGLODSVNXKXOJQU-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.84
Rot. Bonds2

About (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide

(2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide (PubChem CID 141045881) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide.

Molecular Properties

Compound Name(2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide
PubChem CID141045881
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide
SMILESCC1CCCC(C[NH3+])(c2ccccc2)C1(C)C.[OH-]
InChIInChI=1S/C16H25N.H2O/c1-13-8-7-11-16(12-17,15(13,2)3)14-9-5-4-6-10-14;/h4-6,9-10,13H,7-8,11-12,17H2,1-3H3;1H2
InChIKeyGLODSVNXKXOJQU-UHFFFAOYSA-N
XLogP2.84
TPSA57.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide?
The IUPAC name of (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide (CID 141045881) is (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide.
What is the SMILES notation for (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide?
The canonical SMILES for (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide is CC1CCCC(C[NH3+])(c2ccccc2)C1(C)C.[OH-].
What is the InChIKey of (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide?
The InChIKey is GLODSVNXKXOJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.H2O/c1-13-8-7-11-16(12-17,15(13,2)3)14-9-5-4-6-10-14;/h4-6,9-10,13H,7-8,11-12,17H2,1-3H3;1H2.
What are the key properties of (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide?
(2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide has a molecular weight of 249.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3-trimethyl-1-phenylcyclohexyl)methylazanium hydroxide is sourced from PubChem (CID 141045881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).