1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C16H24N2O — CID 115685934

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)C2CC3CCC2C3)cn1
InChIInChI=1S/C16H24N2O/c1-11(15-8-12-3-5-14(15)7-12)17-9-13-4-6-16(19-2)18-10-13/h4,6,10-12,14-15,17H,3,5,7-9H2,1-2H3
InChIKeyPBPGWGDTDVNIHO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 115685934) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID115685934
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)C2CC3CCC2C3)cn1
InChIInChI=1S/C16H24N2O/c1-11(15-8-12-3-5-14(15)7-12)17-9-13-4-6-16(19-2)18-10-13/h4,6,10-12,14-15,17H,3,5,7-9H2,1-2H3
InChIKeyPBPGWGDTDVNIHO-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 129428935
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 56814804
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 129431229
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62747079
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663515
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 115685934) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNC(C)C2CC3CCC2C3)cn1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is PBPGWGDTDVNIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(15-8-12-3-5-14(15)7-12)17-9-13-4-6-16(19-2)18-10-13/h4,6,10-12,14-15,17H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 3.00, 5 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)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115685934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).