1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol

C15H24N2O — CID 112682728

IUPAC1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(c2cccnc2N)C1
InChIInChI=1S/C15H24N2O/c1-13(2)8-14(3,4)10-15(18,9-13)11-6-5-7-17-12(11)16/h5-7,18H,8-10H2,1-4H3,(H2,16,17)
InChIKeyNPBPMHRAHUUZMF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.09
Rot. Bonds1

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

1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 112682728) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID112682728
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(c2cccnc2N)C1
InChIInChI=1S/C15H24N2O/c1-13(2)8-14(3,4)10-15(18,9-13)11-6-5-7-17-12(11)16/h5-7,18H,8-10H2,1-4H3,(H2,16,17)
InChIKeyNPBPMHRAHUUZMF-UHFFFAOYSA-N
XLogP3.09
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol (CID 112682728) is 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol is CC1(C)CC(C)(C)CC(O)(c2cccnc2N)C1.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is NPBPMHRAHUUZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)8-14(3,4)10-15(18,9-13)11-6-5-7-17-12(11)16/h5-7,18H,8-10H2,1-4H3,(H2,16,17).
What are the key properties of 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 112682728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).