2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine

C15H27N3O — CID 136923844

IUPAC2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCCOC1CCCCC1)NCC
InChIInChI=1S/C15H27N3O/c1-3-11-17-15(16-4-2)18-12-8-13-19-14-9-6-5-7-10-14/h1,14H,4-13H2,2H3,(H2,16,17,18)
InChIKeyBYVLRMOHZPNJGL-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.91
Rot. Bonds7

About 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine

2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine (PubChem CID 136923844) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine
PubChem CID136923844
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCCOC1CCCCC1)NCC
InChIInChI=1S/C15H27N3O/c1-3-11-17-15(16-4-2)18-12-8-13-19-14-9-6-5-7-10-14/h1,14H,4-13H2,2H3,(H2,16,17,18)
InChIKeyBYVLRMOHZPNJGL-UHFFFAOYSA-N
XLogP1.91
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.91
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933
2-(3-cyclohexyloxypropyl)-1-ethyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111398063
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111397135
1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
CID 104886365
2-(3-cyclopentyloxypropyl)-1-ethyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628716
tert-butyl N-[2-[[N'-(3-cyclopentyloxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884306
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111397330
1-butan-2-yl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine;hydroiodide
CID 110944371
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111397561
3-[[N'-(3-cyclohexyloxypropyl)-N-ethylcarbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111397142
2-(3-cyclohexyloxypropyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318972

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine?
The IUPAC name of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine (CID 136923844) is 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine?
The canonical SMILES for 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine is C#CCN/C(=N/CCCOC1CCCCC1)NCC.
What is the InChIKey of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine?
The InChIKey is BYVLRMOHZPNJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-11-17-15(16-4-2)18-12-8-13-19-14-9-6-5-7-10-14/h1,14H,4-13H2,2H3,(H2,16,17,18).
What are the key properties of 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine?
2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine has a molecular weight of 265.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 136923844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).