1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide

C15H31IN4 — CID 111208205

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(C)CCN/C(=N\C)NCCC1=CCCCC1.I
InChIInChI=1S/C15H30N4.HI/c1-4-19(3)13-12-18-15(16-2)17-11-10-14-8-6-5-7-9-14;/h8H,4-7,9-13H2,1-3H3,(H2,16,17,18);1H
InChIKeyFKANJODMLUEMCP-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.61
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111208205) has the molecular formula C15H31IN4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
PubChem CID111208205
Molecular FormulaC15H31IN4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(C)CCN/C(=N\C)NCCC1=CCCCC1.I
InChIInChI=1S/C15H30N4.HI/c1-4-19(3)13-12-18-15(16-2)17-11-10-14-8-6-5-7-9-14;/h8H,4-7,9-13H2,1-3H3,(H2,16,17,18);1H
InChIKeyFKANJODMLUEMCP-UHFFFAOYSA-N
XLogP2.61
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[bis(2-aminoethyl)amino]ethyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172447033
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
3-(4-Methylpent-3-en-1-yl)-1-[9-([7-[(4-methylpent-3-en-1-yl)-carbamimidamido]heptyl]amino)nonyl]guanidine
CID 129661500
N-[2-(cyclohexen-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377592
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111209155
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111209156
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778450
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778452
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111836150
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111836151
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111836156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide (CID 111208205) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide is CCN(C)CCN/C(=N\C)NCCC1=CCCCC1.I.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is FKANJODMLUEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.HI/c1-4-19(3)13-12-18-15(16-2)17-11-10-14-8-6-5-7-9-14;/h8H,4-7,9-13H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide?
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 394.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111208205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).