1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine

C13H28N4 — CID 104886858

IUPAC1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine
SMILESCCCC/N=C(\NN)NC1CCC(CC)C1C
InChIInChI=1S/C13H28N4/c1-4-6-9-15-13(17-14)16-12-8-7-11(5-2)10(12)3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17)
InChIKeyWZRPJLAPXWCYGE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine

1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine (PubChem CID 104886858) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine
PubChem CID104886858
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine
SMILESCCCC/N=C(\NN)NC1CCC(CC)C1C
InChIInChI=1S/C13H28N4/c1-4-6-9-15-13(17-14)16-12-8-7-11(5-2)10(12)3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17)
InChIKeyWZRPJLAPXWCYGE-UHFFFAOYSA-N
XLogP2.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine (CID 104886858) is 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine is CCCC/N=C(\NN)NC1CCC(CC)C1C.
What is the InChIKey of 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine?
The InChIKey is WZRPJLAPXWCYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-6-9-15-13(17-14)16-12-8-7-11(5-2)10(12)3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine?
1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(3-ethyl-2-methylcyclopentyl)guanidine is sourced from PubChem (CID 104886858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).