2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide

C7H14N4 — CID 138533355

IUPAC2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide
SMILES[H]/N=C/N(C(=N/[H])/C(C)=N/[H])C(C)C
InChIInChI=1S/C7H14N4/c1-5(2)11(4-8)7(10)6(3)9/h4-5,8-10H,1-3H3/b8-4+,9-6+,10-7+
InChIKeyMZFVZTXNEROJFG-KGRHGWLXSA-N
MW154.22 g/mol
LogP1.32
Rot. Bonds3

About 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide

2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide (PubChem CID 138533355) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide.

Molecular Properties

Compound Name2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide
PubChem CID138533355
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide
SMILES[H]/N=C/N(C(=N/[H])/C(C)=N/[H])C(C)C
InChIInChI=1S/C7H14N4/c1-5(2)11(4-8)7(10)6(3)9/h4-5,8-10H,1-3H3/b8-4+,9-6+,10-7+
InChIKeyMZFVZTXNEROJFG-KGRHGWLXSA-N
XLogP1.32
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide?
The IUPAC name of 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide (CID 138533355) is 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide.
What is the SMILES notation for 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide?
The canonical SMILES for 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide is [H]/N=C/N(C(=N/[H])/C(C)=N/[H])C(C)C.
What is the InChIKey of 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide?
The InChIKey is MZFVZTXNEROJFG-KGRHGWLXSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)11(4-8)7(10)6(3)9/h4-5,8-10H,1-3H3/b8-4+,9-6+,10-7+.
What are the key properties of 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide?
2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide has a molecular weight of 154.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-methanimidoyl-N-propan-2-ylpropanimidamide is sourced from PubChem (CID 138533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).