2-amino-3,3-dimethylbutanimidamide

C6H15N3 — CID 88908289

IUPAC2-amino-3,3-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(N)C(C)(C)C
InChIInChI=1S/C6H15N3/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H3,8,9)
InChIKeyAUPJISJHEGCFJP-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.30
Rot. Bonds1

About 2-amino-3,3-dimethylbutanimidamide

2-amino-3,3-dimethylbutanimidamide (PubChem CID 88908289) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 2-amino-3,3-dimethylbutanimidamide.

Molecular Properties

Compound Name2-amino-3,3-dimethylbutanimidamide
PubChem CID88908289
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name2-amino-3,3-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(N)C(C)(C)C
InChIInChI=1S/C6H15N3/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H3,8,9)
InChIKeyAUPJISJHEGCFJP-UHFFFAOYSA-N
XLogP0.30
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethylbutanimidamide?
The IUPAC name of 2-amino-3,3-dimethylbutanimidamide (CID 88908289) is 2-amino-3,3-dimethylbutanimidamide.
What is the SMILES notation for 2-amino-3,3-dimethylbutanimidamide?
The canonical SMILES for 2-amino-3,3-dimethylbutanimidamide is [H]/N=C(\N)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethylbutanimidamide?
The InChIKey is AUPJISJHEGCFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H3,8,9).
What are the key properties of 2-amino-3,3-dimethylbutanimidamide?
2-amino-3,3-dimethylbutanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethylbutanimidamide is sourced from PubChem (CID 88908289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).