2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine

C12H23N3O — CID 62406041

IUPAC2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
SMILESN/C(=N\CCOC1CCCCC1)NC1CC1
InChIInChI=1S/C12H23N3O/c13-12(15-10-6-7-10)14-8-9-16-11-4-2-1-3-5-11/h10-11H,1-9H2,(H3,13,14,15)
InChIKeyGULQVEOAMSFABP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.40
Rot. Bonds5

About 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine

2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine (PubChem CID 62406041) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
PubChem CID62406041
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
SMILESN/C(=N\CCOC1CCCCC1)NC1CC1
InChIInChI=1S/C12H23N3O/c13-12(15-10-6-7-10)14-8-9-16-11-4-2-1-3-5-11/h10-11H,1-9H2,(H3,13,14,15)
InChIKeyGULQVEOAMSFABP-UHFFFAOYSA-N
XLogP1.40
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.40
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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Related Compounds

2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060
1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine
CID 124628876
1-tert-butyl-2-(2-cycloheptyloxyethyl)guanidine
CID 111812597
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491
N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide
CID 63833468
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine?
The IUPAC name of 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine (CID 62406041) is 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine.
What is the SMILES notation for 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine?
The canonical SMILES for 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine is N/C(=N\CCOC1CCCCC1)NC1CC1.
What is the InChIKey of 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine?
The InChIKey is GULQVEOAMSFABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(15-10-6-7-10)14-8-9-16-11-4-2-1-3-5-11/h10-11H,1-9H2,(H3,13,14,15).
What are the key properties of 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine?
2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine has a molecular weight of 225.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine is sourced from PubChem (CID 62406041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).