2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide

C16H26IN3 — CID 111062736

IUPAC2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCc1cccc(N/C(N)=N/CCCC2CCCC2)c1.I
InChIInChI=1S/C16H25N3.HI/c1-13-6-4-10-15(12-13)19-16(17)18-11-5-9-14-7-2-3-8-14;/h4,6,10,12,14H,2-3,5,7-9,11H2,1H3,(H3,17,18,19);1H
InChIKeyLHJJPVPWDHCKPU-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.31
Rot. Bonds5

About 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide

2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide (PubChem CID 111062736) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide
PubChem CID111062736
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCc1cccc(N/C(N)=N/CCCC2CCCC2)c1.I
InChIInChI=1S/C16H25N3.HI/c1-13-6-4-10-15(12-13)19-16(17)18-11-5-9-14-7-2-3-8-14;/h4,6,10,12,14H,2-3,5,7-9,11H2,1H3,(H3,17,18,19);1H
InChIKeyLHJJPVPWDHCKPU-UHFFFAOYSA-N
XLogP4.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111085378
2-butyl-1-(3-methylphenyl)guanidine;hydroiodide
CID 111023150
2-(3-hydroxypropyl)-1-(3-methylphenyl)guanidine
CID 111023654
1-(3-methylphenyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057658
2-hexyl-1-(3-methylphenyl)guanidine
CID 111023793
1-(3-methylphenyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111822481
2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
CID 111062739
1-(3-methylphenyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111066442
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
2-[3-[di(propan-2-yl)amino]propyl]-1-(3-methylphenyl)guanidine
CID 111821723
1-(3-methylphenyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059830
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methylphenyl)guanidine
CID 111821799

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide (CID 111062736) is 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide is Cc1cccc(N/C(N)=N/CCCC2CCCC2)c1.I.
What is the InChIKey of 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide?
The InChIKey is LHJJPVPWDHCKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-13-6-4-10-15(12-13)19-16(17)18-11-5-9-14-7-2-3-8-14;/h4,6,10,12,14H,2-3,5,7-9,11H2,1H3,(H3,17,18,19);1H.
What are the key properties of 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide?
2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111062736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).