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

C16H33NO3 — CID 64853122

IUPACN-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCCOCCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO3/c1-13(2)12-20-15-11-14(16(15,3)4)17-7-6-8-19-10-9-18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyJKHLBZYTWWYTHR-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.47
Rot. Bonds11

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

N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64853122) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64853122
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCCOCCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO3/c1-13(2)12-20-15-11-14(16(15,3)4)17-7-6-8-19-10-9-18-5/h13-15,17H,6-12H2,1-5H3
InChIKeyJKHLBZYTWWYTHR-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.47
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-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64853122) is N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is COCCOCCCNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is JKHLBZYTWWYTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-13(2)12-20-15-11-14(16(15,3)4)17-7-6-8-19-10-9-18-5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 287.44 g/mol, XLogP of 2.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64853122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).