1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine

C17H26N2O — CID 63681622

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
SMILESCOc1c(C)cnc(CNCC2CC3CCC2C3)c1C
InChIInChI=1S/C17H26N2O/c1-11-8-19-16(12(2)17(11)20-3)10-18-9-15-7-13-4-5-14(15)6-13/h8,13-15,18H,4-7,9-10H2,1-3H3
InChIKeyDILIKDYMYUKQLD-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine (PubChem CID 63681622) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
PubChem CID63681622
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
SMILESCOc1c(C)cnc(CNCC2CC3CCC2C3)c1C
InChIInChI=1S/C17H26N2O/c1-11-8-19-16(12(2)17(11)20-3)10-18-9-15-7-13-4-5-14(15)6-13/h8,13-15,18H,4-7,9-10H2,1-3H3
InChIKeyDILIKDYMYUKQLD-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]methanamine
CID 103185680
N'-cyclopropyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methylethane-1,2-diamine
CID 62977612
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 60975626
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 63278062
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 28584690
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
CID 103969062
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 63689969
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
CID 43310961
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63002159

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine (CID 63681622) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine is COc1c(C)cnc(CNCC2CC3CCC2C3)c1C.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is DILIKDYMYUKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-8-19-16(12(2)17(11)20-3)10-18-9-15-7-13-4-5-14(15)6-13/h8,13-15,18H,4-7,9-10H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 3.23, 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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 63681622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).