2-cyclopentyl-1-methoxyguanidine

C7H15N3O — CID 130567773

IUPAC2-cyclopentyl-1-methoxyguanidine
SMILESCON/C(N)=N/C1CCCC1
InChIInChI=1S/C7H15N3O/c1-11-10-7(8)9-6-4-2-3-5-6/h6H,2-5H2,1H3,(H3,8,9,10)
InChIKeyCCBZCTGWNRMASC-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.39
Rot. Bonds2

About 2-cyclopentyl-1-methoxyguanidine

2-cyclopentyl-1-methoxyguanidine (PubChem CID 130567773) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-cyclopentyl-1-methoxyguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methoxyguanidine
PubChem CID130567773
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-cyclopentyl-1-methoxyguanidine
SMILESCON/C(N)=N/C1CCCC1
InChIInChI=1S/C7H15N3O/c1-11-10-7(8)9-6-4-2-3-5-6/h6H,2-5H2,1H3,(H3,8,9,10)
InChIKeyCCBZCTGWNRMASC-UHFFFAOYSA-N
XLogP0.39
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.39
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-cyclopentyl-1-methoxyguanidine?
The IUPAC name of 2-cyclopentyl-1-methoxyguanidine (CID 130567773) is 2-cyclopentyl-1-methoxyguanidine.
What is the SMILES notation for 2-cyclopentyl-1-methoxyguanidine?
The canonical SMILES for 2-cyclopentyl-1-methoxyguanidine is CON/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methoxyguanidine?
The InChIKey is CCBZCTGWNRMASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-11-10-7(8)9-6-4-2-3-5-6/h6H,2-5H2,1H3,(H3,8,9,10).
What are the key properties of 2-cyclopentyl-1-methoxyguanidine?
2-cyclopentyl-1-methoxyguanidine has a molecular weight of 157.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methoxyguanidine is sourced from PubChem (CID 130567773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).