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

C9H19N3 — CID 173491306

IUPAC3-amino-N,N',4,4-tetramethylpent-2-enimidamide
SMILESC/N=C(/C=C(N)C(C)(C)C)NC
InChIInChI=1S/C9H19N3/c1-9(2,3)7(10)6-8(11-4)12-5/h6H,10H2,1-5H3,(H,11,12)
InChIKeyAHEUJSQUHZSGKF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.12
Rot. Bonds1

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

3-amino-N,N',4,4-tetramethylpent-2-enimidamide (PubChem CID 173491306) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-N,N',4,4-tetramethylpent-2-enimidamide.

Molecular Properties

Compound Name3-amino-N,N',4,4-tetramethylpent-2-enimidamide
PubChem CID173491306
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-amino-N,N',4,4-tetramethylpent-2-enimidamide
SMILESC/N=C(/C=C(N)C(C)(C)C)NC
InChIInChI=1S/C9H19N3/c1-9(2,3)7(10)6-8(11-4)12-5/h6H,10H2,1-5H3,(H,11,12)
InChIKeyAHEUJSQUHZSGKF-UHFFFAOYSA-N
XLogP1.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.12
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,N',4,4-tetramethylpent-2-enimidamide?
The IUPAC name of 3-amino-N,N',4,4-tetramethylpent-2-enimidamide (CID 173491306) is 3-amino-N,N',4,4-tetramethylpent-2-enimidamide.
What is the SMILES notation for 3-amino-N,N',4,4-tetramethylpent-2-enimidamide?
The canonical SMILES for 3-amino-N,N',4,4-tetramethylpent-2-enimidamide is C/N=C(/C=C(N)C(C)(C)C)NC.
What is the InChIKey of 3-amino-N,N',4,4-tetramethylpent-2-enimidamide?
The InChIKey is AHEUJSQUHZSGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2,3)7(10)6-8(11-4)12-5/h6H,10H2,1-5H3,(H,11,12).
What are the key properties of 3-amino-N,N',4,4-tetramethylpent-2-enimidamide?
3-amino-N,N',4,4-tetramethylpent-2-enimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N',4,4-tetramethylpent-2-enimidamide is sourced from PubChem (CID 173491306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).