2-[(3,3-dimethylcyclopentylidene)amino]guanidine

C8H16N4 — CID 80699384

IUPAC2-[(3,3-dimethylcyclopentylidene)amino]guanidine
SMILESCC1(C)CCC(=NN=C(N)N)C1
InChIInChI=1S/C8H16N4/c1-8(2)4-3-6(5-8)11-12-7(9)10/h3-5H2,1-2H3,(H4,9,10,12)
InChIKeyMTQMRCXENMLMSX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.83
Rot. Bonds1

About 2-[(3,3-dimethylcyclopentylidene)amino]guanidine

2-[(3,3-dimethylcyclopentylidene)amino]guanidine (PubChem CID 80699384) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentylidene)amino]guanidine
PubChem CID80699384
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-[(3,3-dimethylcyclopentylidene)amino]guanidine
SMILESCC1(C)CCC(=NN=C(N)N)C1
InChIInChI=1S/C8H16N4/c1-8(2)4-3-6(5-8)11-12-7(9)10/h3-5H2,1-2H3,(H4,9,10,12)
InChIKeyMTQMRCXENMLMSX-UHFFFAOYSA-N
XLogP0.83
TPSA76.76 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 ≤ 50.83
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-[(3,3-dimethylcyclopentylidene)amino]guanidine?
The IUPAC name of 2-[(3,3-dimethylcyclopentylidene)amino]guanidine (CID 80699384) is 2-[(3,3-dimethylcyclopentylidene)amino]guanidine.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentylidene)amino]guanidine?
The canonical SMILES for 2-[(3,3-dimethylcyclopentylidene)amino]guanidine is CC1(C)CCC(=NN=C(N)N)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentylidene)amino]guanidine?
The InChIKey is MTQMRCXENMLMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2)4-3-6(5-8)11-12-7(9)10/h3-5H2,1-2H3,(H4,9,10,12).
What are the key properties of 2-[(3,3-dimethylcyclopentylidene)amino]guanidine?
2-[(3,3-dimethylcyclopentylidene)amino]guanidine has a molecular weight of 168.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentylidene)amino]guanidine is sourced from PubChem (CID 80699384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).