2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

C17H33NO2 — CID 115943396

IUPAC2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCOCCNCC1(CCOC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C17H33NO2/c1-16(2,3)20-9-7-17(13-18-8-10-19-4)12-14-5-6-15(17)11-14/h14-15,18H,5-13H2,1-4H3
InChIKeyPRSMJOBMGJHZJC-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.23
Rot. Bonds8

About 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (PubChem CID 115943396) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
PubChem CID115943396
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCOCCNCC1(CCOC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C17H33NO2/c1-16(2,3)20-9-7-17(13-18-8-10-19-4)12-14-5-6-15(17)11-14/h14-15,18H,5-13H2,1-4H3
InChIKeyPRSMJOBMGJHZJC-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103183453
2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine
CID 62726390
N-[[2-(2-methoxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62723961
N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63520946
N-[[2-(2-tert-butylsulfonylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 106729828
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521992
N-[[2-(3-ethylsulfonylpropyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 65096862
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 62725163
2-(chloromethyl)-2-(4-methoxybutyl)bicyclo[2.2.1]heptane
CID 104650647

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (CID 115943396) is 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is COCCNCC1(CCOC(C)(C)C)CC2CCC1C2.
What is the InChIKey of 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The InChIKey is PRSMJOBMGJHZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-16(2,3)20-9-7-17(13-18-8-10-19-4)12-14-5-6-15(17)11-14/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine has a molecular weight of 283.46 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is sourced from PubChem (CID 115943396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).