[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine

C14H27NO3 — CID 104566815

IUPAC[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESCOCCOCCOCCC1(CN)CC2CC2C1
InChIInChI=1S/C14H27NO3/c1-16-4-5-18-7-6-17-3-2-14(11-15)9-12-8-13(12)10-14/h12-13H,2-11,15H2,1H3
InChIKeyIADPTSUZPCJRSD-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.43
Rot. Bonds10

About [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine

[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (PubChem CID 104566815) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.

Molecular Properties

Compound Name[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
PubChem CID104566815
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESCOCCOCCOCCC1(CN)CC2CC2C1
InChIInChI=1S/C14H27NO3/c1-16-4-5-18-7-6-17-3-2-14(11-15)9-12-8-13(12)10-14/h12-13H,2-11,15H2,1H3
InChIKeyIADPTSUZPCJRSD-UHFFFAOYSA-N
XLogP1.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine 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

[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055116
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 113427264
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
CID 78963284
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 104568778
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
CID 104568555
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104649526

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The IUPAC name of [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (CID 104566815) is [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.
What is the SMILES notation for [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The canonical SMILES for [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is COCCOCCOCCC1(CN)CC2CC2C1.
What is the InChIKey of [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The InChIKey is IADPTSUZPCJRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-16-4-5-18-7-6-17-3-2-14(11-15)9-12-8-13(12)10-14/h12-13H,2-11,15H2,1H3.
What are the key properties of [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine has a molecular weight of 257.37 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is sourced from PubChem (CID 104566815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).