2-(2,4-dimethylpentan-3-ylideneamino)guanidine

C8H18N4 — CID 129017258

IUPAC2-(2,4-dimethylpentan-3-ylideneamino)guanidine
SMILESCC(C)C(=NN=C(N)N)C(C)C
InChIInChI=1S/C8H18N4/c1-5(2)7(6(3)4)11-12-8(9)10/h5-6H,1-4H3,(H4,9,10,12)
InChIKeyYRUFEZVTQYUQOV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds3

About 2-(2,4-dimethylpentan-3-ylideneamino)guanidine

2-(2,4-dimethylpentan-3-ylideneamino)guanidine (PubChem CID 129017258) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-3-ylideneamino)guanidine.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-3-ylideneamino)guanidine
PubChem CID129017258
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-(2,4-dimethylpentan-3-ylideneamino)guanidine
SMILESCC(C)C(=NN=C(N)N)C(C)C
InChIInChI=1S/C8H18N4/c1-5(2)7(6(3)4)11-12-8(9)10/h5-6H,1-4H3,(H4,9,10,12)
InChIKeyYRUFEZVTQYUQOV-UHFFFAOYSA-N
XLogP0.93
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-3-ylideneamino)guanidine?
The IUPAC name of 2-(2,4-dimethylpentan-3-ylideneamino)guanidine (CID 129017258) is 2-(2,4-dimethylpentan-3-ylideneamino)guanidine.
What is the SMILES notation for 2-(2,4-dimethylpentan-3-ylideneamino)guanidine?
The canonical SMILES for 2-(2,4-dimethylpentan-3-ylideneamino)guanidine is CC(C)C(=NN=C(N)N)C(C)C.
What is the InChIKey of 2-(2,4-dimethylpentan-3-ylideneamino)guanidine?
The InChIKey is YRUFEZVTQYUQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-5(2)7(6(3)4)11-12-8(9)10/h5-6H,1-4H3,(H4,9,10,12).
What are the key properties of 2-(2,4-dimethylpentan-3-ylideneamino)guanidine?
2-(2,4-dimethylpentan-3-ylideneamino)guanidine has a molecular weight of 170.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-3-ylideneamino)guanidine is sourced from PubChem (CID 129017258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).