2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol

C13H21N3O — CID 102640159

IUPAC2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol
SMILESCNc1cncc(N(C)C2CCCCC2O)c1
InChIInChI=1S/C13H21N3O/c1-14-10-7-11(9-15-8-10)16(2)12-5-3-4-6-13(12)17/h7-9,12-14,17H,3-6H2,1-2H3
InChIKeyZBKNVWIHBJDMIF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds3

About 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol

2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 102640159) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol
PubChem CID102640159
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol
SMILESCNc1cncc(N(C)C2CCCCC2O)c1
InChIInChI=1S/C13H21N3O/c1-14-10-7-11(9-15-8-10)16(2)12-5-3-4-6-13(12)17/h7-9,12-14,17H,3-6H2,1-2H3
InChIKeyZBKNVWIHBJDMIF-UHFFFAOYSA-N
XLogP1.86
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol (CID 102640159) is 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol is CNc1cncc(N(C)C2CCCCC2O)c1.
What is the InChIKey of 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is ZBKNVWIHBJDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-10-7-11(9-15-8-10)16(2)12-5-3-4-6-13(12)17/h7-9,12-14,17H,3-6H2,1-2H3.
What are the key properties of 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol?
2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102640159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).