2-cyclopentyl-1-methylideneguanidine

C7H13N3 — CID 169234750

IUPAC2-cyclopentyl-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCCC1
InChIInChI=1S/C7H13N3/c1-9-7(8)10-6-4-2-3-5-6/h6H,1-5H2,(H2,8,10)
InChIKeyWJYMERGJUSWUHH-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.94
Rot. Bonds1

About 2-cyclopentyl-1-methylideneguanidine

2-cyclopentyl-1-methylideneguanidine (PubChem CID 169234750) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-cyclopentyl-1-methylideneguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methylideneguanidine
PubChem CID169234750
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-cyclopentyl-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCCC1
InChIInChI=1S/C7H13N3/c1-9-7(8)10-6-4-2-3-5-6/h6H,1-5H2,(H2,8,10)
InChIKeyWJYMERGJUSWUHH-UHFFFAOYSA-N
XLogP0.94
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclopentyl-1-methylideneguanidine?
The IUPAC name of 2-cyclopentyl-1-methylideneguanidine (CID 169234750) is 2-cyclopentyl-1-methylideneguanidine.
What is the SMILES notation for 2-cyclopentyl-1-methylideneguanidine?
The canonical SMILES for 2-cyclopentyl-1-methylideneguanidine is C=N/C(N)=N\C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methylideneguanidine?
The InChIKey is WJYMERGJUSWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-9-7(8)10-6-4-2-3-5-6/h6H,1-5H2,(H2,8,10).
What are the key properties of 2-cyclopentyl-1-methylideneguanidine?
2-cyclopentyl-1-methylideneguanidine has a molecular weight of 139.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methylideneguanidine is sourced from PubChem (CID 169234750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).