2-(4-methylpentan-2-ylideneamino)guanidine

C7H16N4 — CID 4034856

IUPAC2-(4-methylpentan-2-ylideneamino)guanidine
SMILESCC(CC(C)C)=NN=C(N)N
InChIInChI=1S/C7H16N4/c1-5(2)4-6(3)10-11-7(8)9/h5H,4H2,1-3H3,(H4,8,9,11)
InChIKeyLRAVLGSKASCYDE-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.68
Rot. Bonds3

About 2-(4-methylpentan-2-ylideneamino)guanidine

2-(4-methylpentan-2-ylideneamino)guanidine (PubChem CID 4034856) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylideneamino)guanidine.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylideneamino)guanidine
PubChem CID4034856
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name2-(4-methylpentan-2-ylideneamino)guanidine
SMILESCC(CC(C)C)=NN=C(N)N
InChIInChI=1S/C7H16N4/c1-5(2)4-6(3)10-11-7(8)9/h5H,4H2,1-3H3,(H4,8,9,11)
InChIKeyLRAVLGSKASCYDE-UHFFFAOYSA-N
XLogP0.68
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.68
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-(4-methylpentan-2-ylideneamino)guanidine?
The IUPAC name of 2-(4-methylpentan-2-ylideneamino)guanidine (CID 4034856) is 2-(4-methylpentan-2-ylideneamino)guanidine.
What is the SMILES notation for 2-(4-methylpentan-2-ylideneamino)guanidine?
The canonical SMILES for 2-(4-methylpentan-2-ylideneamino)guanidine is CC(CC(C)C)=NN=C(N)N.
What is the InChIKey of 2-(4-methylpentan-2-ylideneamino)guanidine?
The InChIKey is LRAVLGSKASCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-5(2)4-6(3)10-11-7(8)9/h5H,4H2,1-3H3,(H4,8,9,11).
What are the key properties of 2-(4-methylpentan-2-ylideneamino)guanidine?
2-(4-methylpentan-2-ylideneamino)guanidine has a molecular weight of 156.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylideneamino)guanidine is sourced from PubChem (CID 4034856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).