(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone

C14H25NO — CID 121450223

IUPAC(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone
SMILESCC1(C)CC(C(=O)N2CC(C(C)(C)C)C2)C1
InChIInChI=1S/C14H25NO/c1-13(2,3)11-8-15(9-11)12(16)10-6-14(4,5)7-10/h10-11H,6-9H2,1-5H3
InChIKeyLKYRYLBIJHWIOI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.93
Rot. Bonds1

About (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone

(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone (PubChem CID 121450223) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone.

Molecular Properties

Compound Name(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone
PubChem CID121450223
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone
SMILESCC1(C)CC(C(=O)N2CC(C(C)(C)C)C2)C1
InChIInChI=1S/C14H25NO/c1-13(2,3)11-8-15(9-11)12(16)10-6-14(4,5)7-10/h10-11H,6-9H2,1-5H3
InChIKeyLKYRYLBIJHWIOI-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-Methylazetidin-1-yl)-[1-(trifluoromethyl)cyclobutyl]methanone
CID 126793854
(3-Propan-2-ylazetidin-1-yl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanone
CID 137955534
2-Cyclobutyl-1-[3-(difluoromethyl)azetidin-1-yl]-2-methylpropan-1-one
CID 137955711
1-(3-Fluoroazetidin-1-yl)-2,2-dimethylpentan-1-one
CID 130296498
(3,3-Difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone
CID 134598954
(1-Butan-2-yl-3,3-difluorocyclobutyl)-(3-fluoroazetidin-1-yl)methanone
CID 146411201
1-(6,6-Difluoro-2-azaspiro[3.3]heptan-2-yl)-2-methylbutan-1-one
CID 156229758
1-(6-Fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one
CID 162092392
1-(3,3-Difluoroazetidin-1-yl)-3,3,4-trimethylpentan-1-one
CID 164556093
1-[3-(1,1-Difluoropropyl)-3-methylazetidin-1-yl]-2-methylpentan-1-one
CID 172384131
(3,3-Difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone
CID 176865122
Cyclobutanecarboxamide, N,N-dibutyl-
CID 533283

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone?
The IUPAC name of (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone (CID 121450223) is (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone.
What is the SMILES notation for (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone?
The canonical SMILES for (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone is CC1(C)CC(C(=O)N2CC(C(C)(C)C)C2)C1.
What is the InChIKey of (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone?
The InChIKey is LKYRYLBIJHWIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,3)11-8-15(9-11)12(16)10-6-14(4,5)7-10/h10-11H,6-9H2,1-5H3.
What are the key properties of (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone?
(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone has a molecular weight of 223.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone is sourced from PubChem (CID 121450223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).