1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol

C14H22N2O — CID 133482857

IUPAC1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol
SMILESCc1cccc(NCC(O)C2CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-11-6-5-9-14(16-11)15-10-13(17)12-7-3-2-4-8-12/h5-6,9,12-13,17H,2-4,7-8,10H2,1H3,(H,15,16)
InChIKeySMHMGUIDWKHQLR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds4

About 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol

1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol (PubChem CID 133482857) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol
PubChem CID133482857
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol
SMILESCc1cccc(NCC(O)C2CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-11-6-5-9-14(16-11)15-10-13(17)12-7-3-2-4-8-12/h5-6,9,12-13,17H,2-4,7-8,10H2,1H3,(H,15,16)
InChIKeySMHMGUIDWKHQLR-UHFFFAOYSA-N
XLogP2.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol?
The IUPAC name of 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol (CID 133482857) is 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol?
The canonical SMILES for 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol is Cc1cccc(NCC(O)C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol?
The InChIKey is SMHMGUIDWKHQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-5-9-14(16-11)15-10-13(17)12-7-3-2-4-8-12/h5-6,9,12-13,17H,2-4,7-8,10H2,1H3,(H,15,16).
What are the key properties of 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol?
1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(6-methyl-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 133482857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).