(1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

C16H25NO — CID 128637908

IUPAC(1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCC1(C)C2CN(C(=O)C3(C4CCC4)CCC3)CC21
InChIInChI=1S/C16H25NO/c1-15(2)12-9-17(10-13(12)15)14(18)16(7-4-8-16)11-5-3-6-11/h11-13H,3-10H2,1-2H3
InChIKeyXZLQAWLPEJZPHU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds2

About (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

(1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (PubChem CID 128637908) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.

Molecular Properties

Compound Name(1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
PubChem CID128637908
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCC1(C)C2CN(C(=O)C3(C4CCC4)CCC3)CC21
InChIInChI=1S/C16H25NO/c1-15(2)12-9-17(10-13(12)15)14(18)16(7-4-8-16)11-5-3-6-11/h11-13H,3-10H2,1-2H3
InChIKeyXZLQAWLPEJZPHU-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The IUPAC name of (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (CID 128637908) is (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.
What is the SMILES notation for (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The canonical SMILES for (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is CC1(C)C2CN(C(=O)C3(C4CCC4)CCC3)CC21.
What is the InChIKey of (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The InChIKey is XZLQAWLPEJZPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)12-9-17(10-13(12)15)14(18)16(7-4-8-16)11-5-3-6-11/h11-13H,3-10H2,1-2H3.
What are the key properties of (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
(1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone has a molecular weight of 247.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is sourced from PubChem (CID 128637908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).