3-amino-N',4,4-trimethylpent-2-enimidamide

C8H17N3 — CID 163794337

IUPAC3-amino-N',4,4-trimethylpent-2-enimidamide
SMILESC/N=C(\N)C=C(N)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)6(9)5-7(10)11-4/h5H,9H2,1-4H3,(H2,10,11)
InChIKeyHYKGORBBZGPGES-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.86
Rot. Bonds1

About 3-amino-N',4,4-trimethylpent-2-enimidamide

3-amino-N',4,4-trimethylpent-2-enimidamide (PubChem CID 163794337) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-amino-N',4,4-trimethylpent-2-enimidamide.

Molecular Properties

Compound Name3-amino-N',4,4-trimethylpent-2-enimidamide
PubChem CID163794337
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-amino-N',4,4-trimethylpent-2-enimidamide
SMILESC/N=C(\N)C=C(N)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)6(9)5-7(10)11-4/h5H,9H2,1-4H3,(H2,10,11)
InChIKeyHYKGORBBZGPGES-UHFFFAOYSA-N
XLogP0.86
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
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 3-amino-N',4,4-trimethylpent-2-enimidamide?
The IUPAC name of 3-amino-N',4,4-trimethylpent-2-enimidamide (CID 163794337) is 3-amino-N',4,4-trimethylpent-2-enimidamide.
What is the SMILES notation for 3-amino-N',4,4-trimethylpent-2-enimidamide?
The canonical SMILES for 3-amino-N',4,4-trimethylpent-2-enimidamide is C/N=C(\N)C=C(N)C(C)(C)C.
What is the InChIKey of 3-amino-N',4,4-trimethylpent-2-enimidamide?
The InChIKey is HYKGORBBZGPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2,3)6(9)5-7(10)11-4/h5H,9H2,1-4H3,(H2,10,11).
What are the key properties of 3-amino-N',4,4-trimethylpent-2-enimidamide?
3-amino-N',4,4-trimethylpent-2-enimidamide has a molecular weight of 155.24 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',4,4-trimethylpent-2-enimidamide is sourced from PubChem (CID 163794337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).