2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide

C13H22N4O — CID 65249965

IUPAC2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CN1CC(N)C1)C1(C#N)CCCCC1
InChIInChI=1S/C13H22N4O/c1-16(12(18)9-17-7-11(15)8-17)13(10-14)5-3-2-4-6-13/h11H,2-9,15H2,1H3
InChIKeyQTETYKHNKSXBMO-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.31
Rot. Bonds3

About 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide

2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 65249965) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID65249965
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CN1CC(N)C1)C1(C#N)CCCCC1
InChIInChI=1S/C13H22N4O/c1-16(12(18)9-17-7-11(15)8-17)13(10-14)5-3-2-4-6-13/h11H,2-9,15H2,1H3
InChIKeyQTETYKHNKSXBMO-UHFFFAOYSA-N
XLogP0.31
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 65249965) is 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide is CN(C(=O)CN1CC(N)C1)C1(C#N)CCCCC1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is QTETYKHNKSXBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(12(18)9-17-7-11(15)8-17)13(10-14)5-3-2-4-6-13/h11H,2-9,15H2,1H3.
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 65249965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).