N-amino-N-(2,2-dimethylpropanoyl)propanimidamide

C8H17N3O — CID 155318435

IUPACN-amino-N-(2,2-dimethylpropanoyl)propanimidamide
SMILES[H]/N=C(\CC)N(N)C(=O)C(C)(C)C
InChIInChI=1S/C8H17N3O/c1-5-6(9)11(10)7(12)8(2,3)4/h9H,5,10H2,1-4H3/b9-6+
InChIKeyBOJUQHTWWZMUPN-RMKNXTFCSA-N
MW171.24 g/mol
LogP1.12
Rot. Bonds1

About N-amino-N-(2,2-dimethylpropanoyl)propanimidamide

N-amino-N-(2,2-dimethylpropanoyl)propanimidamide (PubChem CID 155318435) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-amino-N-(2,2-dimethylpropanoyl)propanimidamide.

Molecular Properties

Compound NameN-amino-N-(2,2-dimethylpropanoyl)propanimidamide
PubChem CID155318435
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-amino-N-(2,2-dimethylpropanoyl)propanimidamide
SMILES[H]/N=C(\CC)N(N)C(=O)C(C)(C)C
InChIInChI=1S/C8H17N3O/c1-5-6(9)11(10)7(12)8(2,3)4/h9H,5,10H2,1-4H3/b9-6+
InChIKeyBOJUQHTWWZMUPN-RMKNXTFCSA-N
XLogP1.12
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-amino-N-(2,2-dimethylpropanoyl)propanimidamide?
The IUPAC name of N-amino-N-(2,2-dimethylpropanoyl)propanimidamide (CID 155318435) is N-amino-N-(2,2-dimethylpropanoyl)propanimidamide.
What is the SMILES notation for N-amino-N-(2,2-dimethylpropanoyl)propanimidamide?
The canonical SMILES for N-amino-N-(2,2-dimethylpropanoyl)propanimidamide is [H]/N=C(\CC)N(N)C(=O)C(C)(C)C.
What is the InChIKey of N-amino-N-(2,2-dimethylpropanoyl)propanimidamide?
The InChIKey is BOJUQHTWWZMUPN-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5-6(9)11(10)7(12)8(2,3)4/h9H,5,10H2,1-4H3/b9-6+.
What are the key properties of N-amino-N-(2,2-dimethylpropanoyl)propanimidamide?
N-amino-N-(2,2-dimethylpropanoyl)propanimidamide has a molecular weight of 171.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(2,2-dimethylpropanoyl)propanimidamide is sourced from PubChem (CID 155318435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).