1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol

C14H22N2O — CID 81314198

IUPAC1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1cnccc1N
InChIInChI=1S/C14H22N2O/c1-10-8-13(2,3)5-6-14(10,17)11-9-16-7-4-12(11)15/h4,7,9-10,17H,5-6,8H2,1-3H3,(H2,15,16)
InChIKeyJFMDVLFPWSYLKT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.70
Rot. Bonds1

About 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol

1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81314198) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81314198
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1cnccc1N
InChIInChI=1S/C14H22N2O/c1-10-8-13(2,3)5-6-14(10,17)11-9-16-7-4-12(11)15/h4,7,9-10,17H,5-6,8H2,1-3H3,(H2,15,16)
InChIKeyJFMDVLFPWSYLKT-UHFFFAOYSA-N
XLogP2.70
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol (CID 81314198) is 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol is CC1CC(C)(C)CCC1(O)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is JFMDVLFPWSYLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-13(2,3)5-6-14(10,17)11-9-16-7-4-12(11)15/h4,7,9-10,17H,5-6,8H2,1-3H3,(H2,15,16).
What are the key properties of 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol?
1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81314198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).