2-(2-butoxyethyl)-1-cyclohexylguanidine

C13H27N3O — CID 62368063

IUPAC2-(2-butoxyethyl)-1-cyclohexylguanidine
SMILESCCCCOCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-2-3-10-17-11-9-15-13(14)16-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H3,14,15,16)
InChIKeyPSXZXWRKTJQCAP-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.04
Rot. Bonds7

About 2-(2-butoxyethyl)-1-cyclohexylguanidine

2-(2-butoxyethyl)-1-cyclohexylguanidine (PubChem CID 62368063) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-1-cyclohexylguanidine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-1-cyclohexylguanidine
PubChem CID62368063
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(2-butoxyethyl)-1-cyclohexylguanidine
SMILESCCCCOCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-2-3-10-17-11-9-15-13(14)16-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H3,14,15,16)
InChIKeyPSXZXWRKTJQCAP-UHFFFAOYSA-N
XLogP2.04
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-butoxyethyl)-1-cyclohexylguanidine?
The IUPAC name of 2-(2-butoxyethyl)-1-cyclohexylguanidine (CID 62368063) is 2-(2-butoxyethyl)-1-cyclohexylguanidine.
What is the SMILES notation for 2-(2-butoxyethyl)-1-cyclohexylguanidine?
The canonical SMILES for 2-(2-butoxyethyl)-1-cyclohexylguanidine is CCCCOCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 2-(2-butoxyethyl)-1-cyclohexylguanidine?
The InChIKey is PSXZXWRKTJQCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-3-10-17-11-9-15-13(14)16-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H3,14,15,16).
What are the key properties of 2-(2-butoxyethyl)-1-cyclohexylguanidine?
2-(2-butoxyethyl)-1-cyclohexylguanidine has a molecular weight of 241.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-1-cyclohexylguanidine is sourced from PubChem (CID 62368063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).