1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine

C13H25N3O — CID 124628876

IUPAC1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine
SMILESC[C@@H]1CCCC[C@H]1OCC/N=C(\N)NC1CC1
InChIInChI=1S/C13H25N3O/c1-10-4-2-3-5-12(10)17-9-8-15-13(14)16-11-6-7-11/h10-12H,2-9H2,1H3,(H3,14,15,16)/t10-,12-/m1/s1
InChIKeyNQBZFQFYXLOXLI-ZYHUDNBSSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds5

About 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine

1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine (PubChem CID 124628876) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine
PubChem CID124628876
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine
SMILESC[C@@H]1CCCC[C@H]1OCC/N=C(\N)NC1CC1
InChIInChI=1S/C13H25N3O/c1-10-4-2-3-5-12(10)17-9-8-15-13(14)16-11-6-7-11/h10-12H,2-9H2,1H3,(H3,14,15,16)/t10-,12-/m1/s1
InChIKeyNQBZFQFYXLOXLI-ZYHUDNBSSA-N
XLogP1.65
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
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-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
CID 62406041
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 60976387
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
3-(2-methylcyclohexyl)oxypropanimidamide
CID 24704850
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-cyclohexyl-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671281
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine (CID 124628876) is 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine is C[C@@H]1CCCC[C@H]1OCC/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine?
The InChIKey is NQBZFQFYXLOXLI-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-4-2-3-5-12(10)17-9-8-15-13(14)16-11-6-7-11/h10-12H,2-9H2,1H3,(H3,14,15,16)/t10-,12-/m1/s1.
What are the key properties of 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine?
1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine is sourced from PubChem (CID 124628876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).