2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine

C12H23N3O — CID 82740356

IUPAC2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
SMILESCC1OCCC1N(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H23N3O/c1-9-11(7-8-16-9)15(2)12(13)14-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQLXXWYHSKAHENW-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.35
Rot. Bonds2

About 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine

2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine (PubChem CID 82740356) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
PubChem CID82740356
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
SMILESCC1OCCC1N(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H23N3O/c1-9-11(7-8-16-9)15(2)12(13)14-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQLXXWYHSKAHENW-UHFFFAOYSA-N
XLogP1.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine (CID 82740356) is 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine is CC1OCCC1N(C)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
The InChIKey is QLXXWYHSKAHENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-11(7-8-16-9)15(2)12(13)14-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine?
2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine is sourced from PubChem (CID 82740356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).