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

C13H20N2O — CID 102880835

IUPAC2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
SMILESCc1cncc(CNC2CCCCC2O)c1
InChIInChI=1S/C13H20N2O/c1-10-6-11(8-14-7-10)9-15-12-4-2-3-5-13(12)16/h6-8,12-13,15-16H,2-5,9H2,1H3
InChIKeyPVNZACCEOVNXJN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds3

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

2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol (PubChem CID 102880835) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
PubChem CID102880835
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
SMILESCc1cncc(CNC2CCCCC2O)c1
InChIInChI=1S/C13H20N2O/c1-10-6-11(8-14-7-10)9-15-12-4-2-3-5-13(12)16/h6-8,12-13,15-16H,2-5,9H2,1H3
InChIKeyPVNZACCEOVNXJN-UHFFFAOYSA-N
XLogP1.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 102879005
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
CID 104797130
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 62365273
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382
2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol
CID 102878479
trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
CID 124550232
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol (CID 102880835) is 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol is Cc1cncc(CNC2CCCCC2O)c1.
What is the InChIKey of 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol?
The InChIKey is PVNZACCEOVNXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-6-11(8-14-7-10)9-15-12-4-2-3-5-13(12)16/h6-8,12-13,15-16H,2-5,9H2,1H3.
What are the key properties of 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol?
2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102880835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).