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

C14H29NO3S — CID 64850395

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C14H29NO3S/c1-11(2)10-18-13-9-12(14(13,3)4)15-7-6-8-19(5,16)17/h11-13,15H,6-10H2,1-5H3
InChIKeyQOJVFTBRHPAEJG-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.85
Rot. Bonds8

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

2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine (PubChem CID 64850395) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
PubChem CID64850395
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCCS(C)(=O)=O)C1(C)C
InChIInChI=1S/C14H29NO3S/c1-11(2)10-18-13-9-12(14(13,3)4)15-7-6-8-19(5,16)17/h11-13,15H,6-10H2,1-5H3
InChIKeyQOJVFTBRHPAEJG-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.85
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 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine (CID 64850395) is 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine is CC(C)COC1CC(NCCCS(C)(=O)=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
The InChIKey is QOJVFTBRHPAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-11(2)10-18-13-9-12(14(13,3)4)15-7-6-8-19(5,16)17/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 64850395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).