3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

C15H27N3O — CID 109385137

IUPAC3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(\NCCC1=CCCC1)N(C)CC1CCOC1
InChIInChI=1S/C15H27N3O/c1-16-15(17-9-7-13-5-3-4-6-13)18(2)11-14-8-10-19-12-14/h5,14H,3-4,6-12H2,1-2H3,(H,16,17)
InChIKeyNTRLYCGTHPYHSH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.03
Rot. Bonds5

About 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109385137) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109385137
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(\NCCC1=CCCC1)N(C)CC1CCOC1
InChIInChI=1S/C15H27N3O/c1-16-15(17-9-7-13-5-3-4-6-13)18(2)11-14-8-10-19-12-14/h5,14H,3-4,6-12H2,1-2H3,(H,16,17)
InChIKeyNTRLYCGTHPYHSH-UHFFFAOYSA-N
XLogP2.03
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.03
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (CID 109385137) is 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is C/N=C(\NCCC1=CCCC1)N(C)CC1CCOC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is NTRLYCGTHPYHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-16-15(17-9-7-13-5-3-4-6-13)18(2)11-14-8-10-19-12-14/h5,14H,3-4,6-12H2,1-2H3,(H,16,17).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 265.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109385137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).