N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine

C19H39NO3 — CID 138467402

IUPACN-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine
SMILESCCC(NCCOC1CC(OCCOCC(C)(C)C)C1)C(C)C
InChIInChI=1S/C19H39NO3/c1-7-18(15(2)3)20-8-9-22-16-12-17(13-16)23-11-10-21-14-19(4,5)6/h15-18,20H,7-14H2,1-6H3
InChIKeyUJEHJYYFWHHFOC-UHFFFAOYSA-N
MW329.53 g/mol
LogP3.64
Rot. Bonds12

About N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine

N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine (PubChem CID 138467402) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine
PubChem CID138467402
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC NameN-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine
SMILESCCC(NCCOC1CC(OCCOCC(C)(C)C)C1)C(C)C
InChIInChI=1S/C19H39NO3/c1-7-18(15(2)3)20-8-9-22-16-12-17(13-16)23-11-10-21-14-19(4,5)6/h15-18,20H,7-14H2,1-6H3
InChIKeyUJEHJYYFWHHFOC-UHFFFAOYSA-N
XLogP3.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.64
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-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine (CID 138467402) is N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine is CCC(NCCOC1CC(OCCOCC(C)(C)C)C1)C(C)C.
What is the InChIKey of N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine?
The InChIKey is UJEHJYYFWHHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-7-18(15(2)3)20-8-9-22-16-12-17(13-16)23-11-10-21-14-19(4,5)6/h15-18,20H,7-14H2,1-6H3.
What are the key properties of N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine?
N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine has a molecular weight of 329.53 g/mol, XLogP of 3.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxyethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 138467402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).