N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C9H19N3O2 — CID 174428308

IUPACN-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CN(N)C1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)14-12(7-13)6-8-4-11(10)5-8/h7-8H,4-6,10H2,1-3H3
InChIKeyMAPCLMYKYVUBSU-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.02
Rot. Bonds4

About N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 174428308) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID174428308
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CC1CN(N)C1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)14-12(7-13)6-8-4-11(10)5-8/h7-8H,4-6,10H2,1-3H3
InChIKeyMAPCLMYKYVUBSU-UHFFFAOYSA-N
XLogP-0.02
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 174428308) is N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CC1CN(N)C1.
What is the InChIKey of N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is MAPCLMYKYVUBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)14-12(7-13)6-8-4-11(10)5-8/h7-8H,4-6,10H2,1-3H3.
What are the key properties of N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 201.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 174428308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).