3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol

C13H18N2O — CID 65174307

IUPAC3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cccnc2N)=CC(O)C1
InChIInChI=1S/C13H18N2O/c1-13(2)7-9(6-10(16)8-13)11-4-3-5-15-12(11)14/h3-6,10,16H,7-8H2,1-2H3,(H2,14,15)
InChIKeyZDMJKGBRJREHDB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.23
Rot. Bonds1

About 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol

3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65174307) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65174307
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cccnc2N)=CC(O)C1
InChIInChI=1S/C13H18N2O/c1-13(2)7-9(6-10(16)8-13)11-4-3-5-15-12(11)14/h3-6,10,16H,7-8H2,1-2H3,(H2,14,15)
InChIKeyZDMJKGBRJREHDB-UHFFFAOYSA-N
XLogP2.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol (CID 65174307) is 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(c2cccnc2N)=CC(O)C1.
What is the InChIKey of 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is ZDMJKGBRJREHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2)7-9(6-10(16)8-13)11-4-3-5-15-12(11)14/h3-6,10,16H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65174307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).