2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine

C13H25N3O — CID 55063680

IUPAC2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine
SMILESCN(CC1CCCCO1)/C(N)=N/C1CCCC1
InChIInChI=1S/C13H25N3O/c1-16(10-12-8-4-5-9-17-12)13(14)15-11-6-2-3-7-11/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyHJBRIYIDDKOXKA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.74
Rot. Bonds3

About 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine

2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine (PubChem CID 55063680) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine
PubChem CID55063680
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine
SMILESCN(CC1CCCCO1)/C(N)=N/C1CCCC1
InChIInChI=1S/C13H25N3O/c1-16(10-12-8-4-5-9-17-12)13(14)15-11-6-2-3-7-11/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyHJBRIYIDDKOXKA-UHFFFAOYSA-N
XLogP1.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.74
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-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine (CID 55063680) is 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine is CN(CC1CCCCO1)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine?
The InChIKey is HJBRIYIDDKOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16(10-12-8-4-5-9-17-12)13(14)15-11-6-2-3-7-11/h11-12H,2-10H2,1H3,(H2,14,15).
What are the key properties of 2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine?
2-cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.74, 3 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-(oxan-2-ylmethyl)guanidine is sourced from PubChem (CID 55063680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).