2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C17H35IN4O — CID 111557978

IUPAC2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCC1CCCC(C)C1)NCCN1CCOCC1.I
InChIInChI=1S/C17H34N4O.HI/c1-15-4-3-5-16(14-15)6-7-19-17(18-2)20-8-9-21-10-12-22-13-11-21;/h15-16H,3-14H2,1-2H3,(H2,18,19,20);1H
InChIKeyCPBRLUJBOFKZNZ-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.32
Rot. Bonds6

About 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111557978) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111557978
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC Name2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCC1CCCC(C)C1)NCCN1CCOCC1.I
InChIInChI=1S/C17H34N4O.HI/c1-15-4-3-5-16(14-15)6-7-19-17(18-2)20-8-9-21-10-12-22-13-11-21;/h15-16H,3-14H2,1-2H3,(H2,18,19,20);1H
InChIKeyCPBRLUJBOFKZNZ-UHFFFAOYSA-N
XLogP2.32
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111081671
1-[2-(3-methylcyclohexyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111558248
2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056809
1-(2-cyclopropylethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111604792
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 104882276
1-ethyl-2-[(3-methylcyclohexyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971650
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111985509
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111032973
2-methyl-1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111055071
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111032974
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[2-(3-methylcyclohexyl)ethyl]guanidine;hydroiodide
CID 111557968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111557978) is 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is C/N=C(/NCCC1CCCC(C)C1)NCCN1CCOCC1.I.
What is the InChIKey of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is CPBRLUJBOFKZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-15-4-3-5-16(14-15)6-7-19-17(18-2)20-8-9-21-10-12-22-13-11-21;/h15-16H,3-14H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111557978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).