2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine

C13H25N3O — CID 110914060

IUPAC2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
SMILESN/C(=N\CCCOC1CCCCC1)NC1CC1
InChIInChI=1S/C13H25N3O/c14-13(16-11-7-8-11)15-9-4-10-17-12-5-2-1-3-6-12/h11-12H,1-10H2,(H3,14,15,16)
InChIKeyYQJPFUKNYGRVNT-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds6

About 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine

2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine (PubChem CID 110914060) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
PubChem CID110914060
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
SMILESN/C(=N\CCCOC1CCCCC1)NC1CC1
InChIInChI=1S/C13H25N3O/c14-13(16-11-7-8-11)15-9-4-10-17-12-5-2-1-3-6-12/h11-12H,1-10H2,(H3,14,15,16)
InChIKeyYQJPFUKNYGRVNT-UHFFFAOYSA-N
XLogP1.79
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
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
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
2-(3-cyclohexyloxypropyl)-1-hexylguanidine;hydroiodide
CID 111035473
1-cyclohexyl-2-octylguanidine
CID 113337391
2-(3-cyclohexyloxypropyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597858
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
2-(3-cyclohexyloxypropyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111597857

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine?
The IUPAC name of 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine (CID 110914060) is 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine.
What is the SMILES notation for 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine?
The canonical SMILES for 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine is N/C(=N\CCCOC1CCCCC1)NC1CC1.
What is the InChIKey of 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine?
The InChIKey is YQJPFUKNYGRVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(16-11-7-8-11)15-9-4-10-17-12-5-2-1-3-6-12/h11-12H,1-10H2,(H3,14,15,16).
What are the key properties of 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine?
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine has a molecular weight of 239.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine is sourced from PubChem (CID 110914060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).