1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide

C13H28IN3O — CID 111255944

IUPAC1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NC1CCC(C)CC1.I
InChIInChI=1S/C13H27N3O.HI/c1-4-17-10-9-15-13(14-3)16-12-7-5-11(2)6-8-12;/h11-12H,4-10H2,1-3H3,(H2,14,15,16);1H
InChIKeyUNLXZRSUEFRIBQ-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide

1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide (PubChem CID 111255944) has the molecular formula C13H28IN3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
PubChem CID111255944
Molecular FormulaC13H28IN3O
Molecular Weight369.29 g/mol
Exact Mass369.13
IUPAC Name1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NC1CCC(C)CC1.I
InChIInChI=1S/C13H27N3O.HI/c1-4-17-10-9-15-13(14-3)16-12-7-5-11(2)6-8-12;/h11-12H,4-10H2,1-3H3,(H2,14,15,16);1H
InChIKeyUNLXZRSUEFRIBQ-UHFFFAOYSA-N
XLogP2.38
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.38
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 110934192
1-(2-ethoxyethyl)-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528808
N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111895894
1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine
CID 111493156
2-methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778538
N-(2-methoxyethyl)-2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111255614
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
methyl 3-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]propanoate
CID 111256031
2-methyl-1-(4-methylcyclohexyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111256276
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256830
1-(3-ethoxypropyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317829
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111764337

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide (CID 111255944) is 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide is CCOCCN/C(=N\C)NC1CCC(C)CC1.I.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The InChIKey is UNLXZRSUEFRIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.HI/c1-4-17-10-9-15-13(14-3)16-12-7-5-11(2)6-8-12;/h11-12H,4-10H2,1-3H3,(H2,14,15,16);1H.
What are the key properties of 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide has a molecular weight of 369.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111255944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).