2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine

C15H29NO2 — CID 104649530

IUPAC2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
SMILESCOCCCCC1(CNCCOC)CC2CC2C1
InChIInChI=1S/C15H29NO2/c1-17-7-4-3-5-15(12-16-6-8-18-2)10-13-9-14(13)11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyNBSAQKNGCVKWIP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.46
Rot. Bonds10

About 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine

2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine (PubChem CID 104649530) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
PubChem CID104649530
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
SMILESCOCCCCC1(CNCCOC)CC2CC2C1
InChIInChI=1S/C15H29NO2/c1-17-7-4-3-5-15(12-16-6-8-18-2)10-13-9-14(13)11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyNBSAQKNGCVKWIP-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.46
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-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine with MolForge

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Related Compounds

1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104649526
N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methoxyethanamine
CID 106730283
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 107053522
2-methoxy-N-[[3-(phenylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 102940611
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine
CID 82937332
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine (CID 104649530) is 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine is COCCCCC1(CNCCOC)CC2CC2C1.
What is the InChIKey of 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The InChIKey is NBSAQKNGCVKWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-17-7-4-3-5-15(12-16-6-8-18-2)10-13-9-14(13)11-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine is sourced from PubChem (CID 104649530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).