2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine

C12H23NO — CID 62726390

IUPAC2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine
SMILESCOCCNCC1(C)CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-12(9-13-5-6-14-2)8-10-3-4-11(12)7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyCUPFOMDLJSPDHF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds5

About 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine

2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine (PubChem CID 62726390) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine
PubChem CID62726390
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine
SMILESCOCCNCC1(C)CC2CCC1C2
InChIInChI=1S/C12H23NO/c1-12(9-13-5-6-14-2)8-10-3-4-11(12)7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyCUPFOMDLJSPDHF-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 115943396
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103183453
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine
CID 82937332
N-[[2-(2-methoxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62723961
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 168807164

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine (CID 62726390) is 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine is COCCNCC1(C)CC2CCC1C2.
What is the InChIKey of 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine?
The InChIKey is CUPFOMDLJSPDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(9-13-5-6-14-2)8-10-3-4-11(12)7-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine?
2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine is sourced from PubChem (CID 62726390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).