1-cyclopentyl-2-(2-methoxypropyl)guanidine

C10H21N3O — CID 102698568

IUPAC1-cyclopentyl-2-(2-methoxypropyl)guanidine
SMILESCOC(C)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H21N3O/c1-8(14-2)7-12-10(11)13-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyXLKWHRIASGZSOH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds4

About 1-cyclopentyl-2-(2-methoxypropyl)guanidine

1-cyclopentyl-2-(2-methoxypropyl)guanidine (PubChem CID 102698568) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methoxypropyl)guanidine
PubChem CID102698568
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-cyclopentyl-2-(2-methoxypropyl)guanidine
SMILESCOC(C)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H21N3O/c1-8(14-2)7-12-10(11)13-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyXLKWHRIASGZSOH-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
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 1-cyclopentyl-2-(2-methoxypropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2-methoxypropyl)guanidine (CID 102698568) is 1-cyclopentyl-2-(2-methoxypropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2-methoxypropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2-methoxypropyl)guanidine is COC(C)C/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-methoxypropyl)guanidine?
The InChIKey is XLKWHRIASGZSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(14-2)7-12-10(11)13-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-cyclopentyl-2-(2-methoxypropyl)guanidine?
1-cyclopentyl-2-(2-methoxypropyl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methoxypropyl)guanidine is sourced from PubChem (CID 102698568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).