1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine

C16H31N3O — CID 111575241

IUPAC1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CC1)NCCOC1CCCCCC1
InChIInChI=1S/C16H31N3O/c1-2-17-16(19-13-14-9-10-14)18-11-12-20-15-7-5-3-4-6-8-15/h14-15H,2-13H2,1H3,(H2,17,18,19)
InChIKeyIQLOJXAOSCYHQY-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.69
Rot. Bonds7

About 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine

1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine (PubChem CID 111575241) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine
PubChem CID111575241
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine
SMILESCCN/C(=N\CC1CC1)NCCOC1CCCCCC1
InChIInChI=1S/C16H31N3O/c1-2-17-16(19-13-14-9-10-14)18-11-12-20-15-7-5-3-4-6-8-15/h14-15H,2-13H2,1H3,(H2,17,18,19)
InChIKeyIQLOJXAOSCYHQY-UHFFFAOYSA-N
XLogP2.69
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.69
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'}

Analyze 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939822
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111576319
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 111575823
2-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111576026
1-(2-cycloheptyloxyethyl)-3-ethyl-2-(3-methylsulfonylpropyl)guanidine
CID 111575637
2-(cyclopropylmethyl)-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222685
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111575456
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111398237
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111397779
methyl 5-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111575678
1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
CID 104886365
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2-cycloheptyloxyethyl)-3-ethylguanidine;hydroiodide
CID 111576454

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine (CID 111575241) is 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine is CCN/C(=N\CC1CC1)NCCOC1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine?
The InChIKey is IQLOJXAOSCYHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-17-16(19-13-14-9-10-14)18-11-12-20-15-7-5-3-4-6-8-15/h14-15H,2-13H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine?
1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine has a molecular weight of 281.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine is sourced from PubChem (CID 111575241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).