N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine

C19H39NO3 — CID 166004673

IUPACN-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine
SMILESCC(C)(C)COCCOC1CC(OCCCCNC(C)(C)C)C1
InChIInChI=1S/C19H39NO3/c1-18(2,3)15-21-11-12-23-17-13-16(14-17)22-10-8-7-9-20-19(4,5)6/h16-17,20H,7-15H2,1-6H3
InChIKeyPYFHRTUZRLKPOO-UHFFFAOYSA-N
MW329.52 g/mol
LogP3.78
Rot. Bonds11

About N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine

N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine (PubChem CID 166004673) has the molecular formula C19H39NO3 and a molecular weight of 329.52 g/mol. Its IUPAC name is N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine
PubChem CID166004673
Molecular FormulaC19H39NO3
Molecular Weight329.52 g/mol
Exact Mass329.29
IUPAC NameN-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine
SMILESCC(C)(C)COCCOC1CC(OCCCCNC(C)(C)C)C1
InChIInChI=1S/C19H39NO3/c1-18(2,3)15-21-11-12-23-17-13-16(14-17)22-10-8-7-9-20-19(4,5)6/h16-17,20H,7-15H2,1-6H3
InChIKeyPYFHRTUZRLKPOO-UHFFFAOYSA-N
XLogP3.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.52
LogP ≤ 53.78
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-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine?
The IUPAC name of N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine (CID 166004673) is N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine?
The canonical SMILES for N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine is CC(C)(C)COCCOC1CC(OCCCCNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine?
The InChIKey is PYFHRTUZRLKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-18(2,3)15-21-11-12-23-17-13-16(14-17)22-10-8-7-9-20-19(4,5)6/h16-17,20H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine?
N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine has a molecular weight of 329.52 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine is sourced from PubChem (CID 166004673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).