2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide

C14H30IN3 — CID 111062815

IUPAC2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCCC1CCCCC1)N(C)C.I
InChIInChI=1S/C14H29N3.HI/c1-16(2)14(17(3)4)15-12-8-11-13-9-6-5-7-10-13;/h13H,5-12H2,1-4H3;1H
InChIKeyCQOOCYARJPQUSQ-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide

2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111062815) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111062815
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC Name2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCCC1CCCCC1)N(C)C.I
InChIInChI=1S/C14H29N3.HI/c1-16(2)14(17(3)4)15-12-8-11-13-9-6-5-7-10-13;/h13H,5-12H2,1-4H3;1H
InChIKeyCQOOCYARJPQUSQ-UHFFFAOYSA-N
XLogP3.44
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
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

2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
CID 111947389
2-(3-cyclohexylpropyl)-1,1-diethylguanidine
CID 111062808
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018747
3-[[N'-(3-cyclopentylpropyl)-N-ethylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111946698
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111810075
3-cyclobutylpropylcyclohexane
CID 54165208
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
3-azidopropylcyclohexane
CID 66545466
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111062815) is 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCCCC1CCCCC1)N(C)C.I.
What is the InChIKey of 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is CQOOCYARJPQUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-16(2)14(17(3)4)15-12-8-11-13-9-6-5-7-10-13;/h13H,5-12H2,1-4H3;1H.
What are the key properties of 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide?
2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 367.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111062815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).