1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

C15H22N2O — CID 114246814

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccncc1OC)C1CC2CCC1C2
InChIInChI=1S/C15H22N2O/c1-16-15(12-5-6-17-9-14(12)18-2)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,15-16H,3-4,7-8H2,1-2H3
InChIKeyVINQHISJQVSXCV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (PubChem CID 114246814) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
PubChem CID114246814
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccncc1OC)C1CC2CCC1C2
InChIInChI=1S/C15H22N2O/c1-16-15(12-5-6-17-9-14(12)18-2)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,15-16H,3-4,7-8H2,1-2H3
InChIKeyVINQHISJQVSXCV-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine with MolForge

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Related Compounds

1-cyclopentyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065154
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
1-cycloheptyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065977
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660349
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105066147
[2-bicyclo[2.2.1]heptanyl-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105266791
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 63502879
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 114246647
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114660339
1-(2-bicyclo[2.2.1]heptanyl)-1-(7-bromo-1-benzothiophen-3-yl)-N-methylmethanamine
CID 81133126
1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066142

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (CID 114246814) is 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine is CNC(c1ccncc1OC)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The InChIKey is VINQHISJQVSXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-15(12-5-6-17-9-14(12)18-2)13-8-10-3-4-11(13)7-10/h5-6,9-11,13,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114246814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).