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

C11H21N3O — CID 78967147

IUPAC2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine
SMILESCN(/C(N)=N/C1CCCC1)C1CCOC1
InChIInChI=1S/C11H21N3O/c1-14(10-6-7-15-8-10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyMKOBMZSHYZFBGI-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.96
Rot. Bonds2

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

2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine (PubChem CID 78967147) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine
PubChem CID78967147
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine
SMILESCN(/C(N)=N/C1CCCC1)C1CCOC1
InChIInChI=1S/C11H21N3O/c1-14(10-6-7-15-8-10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyMKOBMZSHYZFBGI-UHFFFAOYSA-N
XLogP0.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.96
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-(oxolan-3-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine (CID 78967147) is 2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine is CN(/C(N)=N/C1CCCC1)C1CCOC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine?
The InChIKey is MKOBMZSHYZFBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(10-6-7-15-8-10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine?
2-cyclopentyl-1-methyl-1-(oxolan-3-yl)guanidine has a molecular weight of 211.31 g/mol, XLogP of 0.96, 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-(oxolan-3-yl)guanidine is sourced from PubChem (CID 78967147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).