[1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine

C13H20N2O — CID 11287459

IUPAC[1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)nc1
InChIInChI=1S/C13H20N2O/c1-16-11-5-6-12(15-9-11)13(10-14)7-3-2-4-8-13/h5-6,9H,2-4,7-8,10,14H2,1H3
InChIKeyLUDJVLROGRFBSF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds3

About [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine

[1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine (PubChem CID 11287459) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine
PubChem CID11287459
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)nc1
InChIInChI=1S/C13H20N2O/c1-16-11-5-6-12(15-9-11)13(10-14)7-3-2-4-8-13/h5-6,9H,2-4,7-8,10,14H2,1H3
InChIKeyLUDJVLROGRFBSF-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine (CID 11287459) is [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine is COc1ccc(C2(CN)CCCCC2)nc1.
What is the InChIKey of [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine?
The InChIKey is LUDJVLROGRFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-11-5-6-12(15-9-11)13(10-14)7-3-2-4-8-13/h5-6,9H,2-4,7-8,10,14H2,1H3.
What are the key properties of [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine?
[1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-2-pyridinyl)cyclohexyl]methanamine is sourced from PubChem (CID 11287459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).