3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine

C12H26N4 — CID 104883817

IUPAC3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(/C(=N/CC(C)C)NN)C1CCCC1
InChIInChI=1S/C12H26N4/c1-4-16(11-7-5-6-8-11)12(15-13)14-9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyCITAXBYXEXYJIO-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine

3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 104883817) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine
PubChem CID104883817
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(/C(=N/CC(C)C)NN)C1CCCC1
InChIInChI=1S/C12H26N4/c1-4-16(11-7-5-6-8-11)12(15-13)14-9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyCITAXBYXEXYJIO-UHFFFAOYSA-N
XLogP1.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine (CID 104883817) is 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine is CCN(/C(=N/CC(C)C)NN)C1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is CITAXBYXEXYJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-4-16(11-7-5-6-8-11)12(15-13)14-9-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine?
3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-1-ethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104883817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).