N'-amino-3,3-dimethylbutanimidamide

C6H15N3 — CID 61362370

IUPACN'-amino-3,3-dimethylbutanimidamide
SMILESCC(C)(C)CC(N)=NN
InChIInChI=1S/C6H15N3/c1-6(2,3)4-5(7)9-8/h4,8H2,1-3H3,(H2,7,9)
InChIKeyZTQFNCGSFNTROG-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.65
Rot. Bonds1

About N'-amino-3,3-dimethylbutanimidamide

N'-amino-3,3-dimethylbutanimidamide (PubChem CID 61362370) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is N'-amino-3,3-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-amino-3,3-dimethylbutanimidamide
PubChem CID61362370
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC NameN'-amino-3,3-dimethylbutanimidamide
SMILESCC(C)(C)CC(N)=NN
InChIInChI=1S/C6H15N3/c1-6(2,3)4-5(7)9-8/h4,8H2,1-3H3,(H2,7,9)
InChIKeyZTQFNCGSFNTROG-UHFFFAOYSA-N
XLogP0.65
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-3,3-dimethylbutanimidamide?
The IUPAC name of N'-amino-3,3-dimethylbutanimidamide (CID 61362370) is N'-amino-3,3-dimethylbutanimidamide.
What is the SMILES notation for N'-amino-3,3-dimethylbutanimidamide?
The canonical SMILES for N'-amino-3,3-dimethylbutanimidamide is CC(C)(C)CC(N)=NN.
What is the InChIKey of N'-amino-3,3-dimethylbutanimidamide?
The InChIKey is ZTQFNCGSFNTROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2,3)4-5(7)9-8/h4,8H2,1-3H3,(H2,7,9).
What are the key properties of N'-amino-3,3-dimethylbutanimidamide?
N'-amino-3,3-dimethylbutanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,3-dimethylbutanimidamide is sourced from PubChem (CID 61362370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).