4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol

C13H20N2O — CID 66274243

IUPAC4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol
SMILESCNC1CCC(O)(c2cnccc2C)CC1
InChIInChI=1S/C13H20N2O/c1-10-5-8-15-9-12(10)13(16)6-3-11(14-2)4-7-13/h5,8-9,11,14,16H,3-4,6-7H2,1-2H3
InChIKeyBTVCGZBEFQDYCS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.74
Rot. Bonds2

About 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol

4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol (PubChem CID 66274243) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol
PubChem CID66274243
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol
SMILESCNC1CCC(O)(c2cnccc2C)CC1
InChIInChI=1S/C13H20N2O/c1-10-5-8-15-9-12(10)13(16)6-3-11(14-2)4-7-13/h5,8-9,11,14,16H,3-4,6-7H2,1-2H3
InChIKeyBTVCGZBEFQDYCS-UHFFFAOYSA-N
XLogP1.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol?
The IUPAC name of 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol (CID 66274243) is 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol?
The canonical SMILES for 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol is CNC1CCC(O)(c2cnccc2C)CC1.
What is the InChIKey of 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol?
The InChIKey is BTVCGZBEFQDYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-8-15-9-12(10)13(16)6-3-11(14-2)4-7-13/h5,8-9,11,14,16H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol?
4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol is sourced from PubChem (CID 66274243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).