1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one

C15H29NO2 — CID 176747002

IUPAC1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)NCOCC1(C(=O)C(C)(C)C)CCC1
InChIInChI=1S/C15H29NO2/c1-13(2,3)12(17)15(8-7-9-15)10-18-11-16-14(4,5)6/h16H,7-11H2,1-6H3
InChIKeyJWYSEWMMUXFYOV-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds5

About 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one

1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one (PubChem CID 176747002) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one
PubChem CID176747002
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)NCOCC1(C(=O)C(C)(C)C)CCC1
InChIInChI=1S/C15H29NO2/c1-13(2,3)12(17)15(8-7-9-15)10-18-11-16-14(4,5)6/h16H,7-11H2,1-6H3
InChIKeyJWYSEWMMUXFYOV-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one (CID 176747002) is 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one is CC(C)(C)NCOCC1(C(=O)C(C)(C)C)CCC1.
What is the InChIKey of 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one?
The InChIKey is JWYSEWMMUXFYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2,3)12(17)15(8-7-9-15)10-18-11-16-14(4,5)6/h16H,7-11H2,1-6H3.
What are the key properties of 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one?
1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one has a molecular weight of 255.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176747002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).