N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C14H29NO2 — CID 64851759

IUPACN-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCOCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO2/c1-6-16-8-7-15-12-9-13(14(12,4)5)17-10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyOWRUPRVAOYDAOZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds8

About N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64851759) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64851759
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCOCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO2/c1-6-16-8-7-15-12-9-13(14(12,4)5)17-10-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyOWRUPRVAOYDAOZ-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64851759) is N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CCOCCNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is OWRUPRVAOYDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-16-8-7-15-12-9-13(14(12,4)5)17-10-11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64851759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).