N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C15H31NO3 — CID 64851389

IUPACN-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCCOCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H31NO3/c1-12(2)11-19-14-10-13(15(14,3)4)16-6-7-18-9-8-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyJFXUOLYXRWNNPP-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.08
Rot. Bonds10

About N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64851389) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64851389
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCCOCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H31NO3/c1-12(2)11-19-14-10-13(15(14,3)4)16-6-7-18-9-8-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyJFXUOLYXRWNNPP-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64851389) is N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is COCCOCCNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is JFXUOLYXRWNNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-12(2)11-19-14-10-13(15(14,3)4)16-6-7-18-9-8-17-5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64851389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).