1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide

C17H26IN3 — CID 111071207

IUPAC1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc2c(c1)CCC2)NC1CCCCC1
InChIInChI=1S/C17H25N3.HI/c18-17(20-16-7-2-1-3-8-16)19-12-13-9-10-14-5-4-6-15(14)11-13;/h9-11,16H,1-8,12H2,(H3,18,19,20);1H
InChIKeyVSNHDLVQVXKZRD-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.53
Rot. Bonds3

About 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide

1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide (PubChem CID 111071207) has the molecular formula C17H26IN3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
PubChem CID111071207
Molecular FormulaC17H26IN3
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC Name1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc2c(c1)CCC2)NC1CCCCC1
InChIInChI=1S/C17H25N3.HI/c18-17(20-16-7-2-1-3-8-16)19-12-13-9-10-14-5-4-6-15(14)11-13;/h9-11,16H,1-8,12H2,(H3,18,19,20);1H
InChIKeyVSNHDLVQVXKZRD-UHFFFAOYSA-N
XLogP3.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide 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

1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-cyclohexyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 111821409
2-[(3-bromo-4-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111095617
1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804422
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propan-2-ylguanidine
CID 111071222
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cyclohexyl-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041376
1-cyclobutyl-2-[(4-iodo-3-methylphenyl)methyl]guanidine
CID 122095889
1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072198

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide (CID 111071207) is 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccc2c(c1)CCC2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide?
The InChIKey is VSNHDLVQVXKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.HI/c18-17(20-16-7-2-1-3-8-16)19-12-13-9-10-14-5-4-6-15(14)11-13;/h9-11,16H,1-8,12H2,(H3,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide?
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111071207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).