(5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid

C15H32NO3P — CID 88835149

IUPAC(5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid
SMILESCC(C)C(C)(C)OP(=O)(O)C1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C15H32NO3P/c1-11(2)14(5,6)19-20(17,18)15(7)9-12(16)8-13(3,4)10-15/h11-12H,8-10,16H2,1-7H3,(H,17,18)
InChIKeyPPJGFYIRZTUPOA-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.92
Rot. Bonds4

About (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid

(5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid (PubChem CID 88835149) has the molecular formula C15H32NO3P and a molecular weight of 305.40 g/mol. Its IUPAC name is (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name(5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid
PubChem CID88835149
Molecular FormulaC15H32NO3P
Molecular Weight305.40 g/mol
Exact Mass305.21
IUPAC Name(5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid
SMILESCC(C)C(C)(C)OP(=O)(O)C1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C15H32NO3P/c1-11(2)14(5,6)19-20(17,18)15(7)9-12(16)8-13(3,4)10-15/h11-12H,8-10,16H2,1-7H3,(H,17,18)
InChIKeyPPJGFYIRZTUPOA-UHFFFAOYSA-N
XLogP3.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-Di(propan-2-yloxy)phosphoryl-3,5,5-trimethylcyclohexan-1-amine
CID 53760957

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid?
The IUPAC name of (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid (CID 88835149) is (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid.
What is the SMILES notation for (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid?
The canonical SMILES for (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid is CC(C)C(C)(C)OP(=O)(O)C1(C)CC(N)CC(C)(C)C1.
What is the InChIKey of (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid?
The InChIKey is PPJGFYIRZTUPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO3P/c1-11(2)14(5,6)19-20(17,18)15(7)9-12(16)8-13(3,4)10-15/h11-12H,8-10,16H2,1-7H3,(H,17,18).
What are the key properties of (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid?
(5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid has a molecular weight of 305.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,3-trimethylcyclohexyl)-(2,3-dimethylbutan-2-yloxy)phosphinic acid is sourced from PubChem (CID 88835149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).