2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide

C18H37IN4O — CID 111256762

IUPAC2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN(CCOC)C1CC1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H36N4O.HI/c1-4-19-18(21-16-7-5-15(2)6-8-16)20-11-12-22(13-14-23-3)17-9-10-17;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeyISILWTJDIPYRBA-UHFFFAOYSA-N
MW452.43 g/mol
LogP2.85
Rot. Bonds9

About 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide (PubChem CID 111256762) has the molecular formula C18H37IN4O and a molecular weight of 452.43 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
PubChem CID111256762
Molecular FormulaC18H37IN4O
Molecular Weight452.43 g/mol
Exact Mass452.20
IUPAC Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCN(CCOC)C1CC1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H36N4O.HI/c1-4-19-18(21-16-7-5-15(2)6-8-16)20-11-12-22(13-14-23-3)17-9-10-17;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeyISILWTJDIPYRBA-UHFFFAOYSA-N
XLogP2.85
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 52.85
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

1-cyclopropyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110988571
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111237120
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine
CID 111694194
1-cyclohexyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 110958012
N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927563
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190182
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019039
methyl 3-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]propanoate
CID 111256875
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
1-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-methylcyclopropyl)guanidine
CID 111962431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide (CID 111256762) is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide is CCN/C(=N\CCN(CCOC)C1CC1)NC1CCC(C)CC1.I.
What is the InChIKey of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The InChIKey is ISILWTJDIPYRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O.HI/c1-4-19-18(21-16-7-5-15(2)6-8-16)20-11-12-22(13-14-23-3)17-9-10-17;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide?
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide has a molecular weight of 452.43 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111256762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).