1-tert-butyl-2-(2-methoxycyclopentyl)guanidine

C11H23N3O — CID 62364409

IUPAC1-tert-butyl-2-(2-methoxycyclopentyl)guanidine
SMILESCOC1CCCC1/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(12)13-8-6-5-7-9(8)15-4/h8-9H,5-7H2,1-4H3,(H3,12,13,14)
InChIKeyJJQWDBBCNLCJIW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds2

About 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine

1-tert-butyl-2-(2-methoxycyclopentyl)guanidine (PubChem CID 62364409) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-methoxycyclopentyl)guanidine
PubChem CID62364409
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-tert-butyl-2-(2-methoxycyclopentyl)guanidine
SMILESCOC1CCCC1/N=C(\N)NC(C)(C)C
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-10(12)13-8-6-5-7-9(8)15-4/h8-9H,5-7H2,1-4H3,(H3,12,13,14)
InChIKeyJJQWDBBCNLCJIW-UHFFFAOYSA-N
XLogP1.26
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine (CID 62364409) is 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine is COC1CCCC1/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine?
The InChIKey is JJQWDBBCNLCJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)14-10(12)13-8-6-5-7-9(8)15-4/h8-9H,5-7H2,1-4H3,(H3,12,13,14).
What are the key properties of 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine?
1-tert-butyl-2-(2-methoxycyclopentyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-methoxycyclopentyl)guanidine is sourced from PubChem (CID 62364409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).