2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide

C11H21N5O — CID 121200207

IUPAC2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC(N=[N+]=[N-])C1)C(C)C
InChIInChI=1S/C11H21N5O/c1-8(2)16(9(3)4)11(17)7-15-5-10(6-15)13-14-12/h8-10H,5-7H2,1-4H3
InChIKeyBQBFYIXAFZFQQF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.63
Rot. Bonds5

About 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide

2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 121200207) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID121200207
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC(N=[N+]=[N-])C1)C(C)C
InChIInChI=1S/C11H21N5O/c1-8(2)16(9(3)4)11(17)7-15-5-10(6-15)13-14-12/h8-10H,5-7H2,1-4H3
InChIKeyBQBFYIXAFZFQQF-UHFFFAOYSA-N
XLogP1.63
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide (CID 121200207) is 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CC(N=[N+]=[N-])C1)C(C)C.
What is the InChIKey of 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is BQBFYIXAFZFQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(2)16(9(3)4)11(17)7-15-5-10(6-15)13-14-12/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide?
2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 121200207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).