2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine

C14H27N3O — CID 55064152

IUPAC2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN(/C(N)=N/C1CCCC1)C(C)C1CC1
InChIInChI=1S/C14H27N3O/c1-11(12-7-8-12)17(9-10-18-2)14(15)16-13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyDYMATMFIOUDEMX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.99
Rot. Bonds6

About 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine

2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine (PubChem CID 55064152) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
PubChem CID55064152
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN(/C(N)=N/C1CCCC1)C(C)C1CC1
InChIInChI=1S/C14H27N3O/c1-11(12-7-8-12)17(9-10-18-2)14(15)16-13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyDYMATMFIOUDEMX-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.99
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-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine (CID 55064152) is 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine is COCCN(/C(N)=N/C1CCCC1)C(C)C1CC1.
What is the InChIKey of 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
The InChIKey is DYMATMFIOUDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(12-7-8-12)17(9-10-18-2)14(15)16-13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine?
2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine has a molecular weight of 253.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 55064152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).