2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine

C8H16N4 — CID 101085388

IUPAC2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine
SMILESC/N=C(\N)N/N=C1/CCCC1C
InChIInChI=1S/C8H16N4/c1-6-4-3-5-7(6)11-12-8(9)10-2/h6H,3-5H2,1-2H3,(H3,9,10,12)/b11-7-
InChIKeyBJZOQBXXOFVJMF-XFFZJAGNSA-N
MW168.24 g/mol
LogP0.70
Rot. Bonds1

About 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine

2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine (PubChem CID 101085388) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine
PubChem CID101085388
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine
SMILESC/N=C(\N)N/N=C1/CCCC1C
InChIInChI=1S/C8H16N4/c1-6-4-3-5-7(6)11-12-8(9)10-2/h6H,3-5H2,1-2H3,(H3,9,10,12)/b11-7-
InChIKeyBJZOQBXXOFVJMF-XFFZJAGNSA-N
XLogP0.70
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.70
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-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine?
The IUPAC name of 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine (CID 101085388) is 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine.
What is the SMILES notation for 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine?
The canonical SMILES for 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine is C/N=C(\N)N/N=C1/CCCC1C.
What is the InChIKey of 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine?
The InChIKey is BJZOQBXXOFVJMF-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H16N4/c1-6-4-3-5-7(6)11-12-8(9)10-2/h6H,3-5H2,1-2H3,(H3,9,10,12)/b11-7-.
What are the key properties of 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine?
2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine has a molecular weight of 168.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(Z)-(2-methylcyclopentylidene)amino]guanidine is sourced from PubChem (CID 101085388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).