1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide

C18H37IN4 — CID 111256654

IUPAC1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCN(CC)C1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H36N4.HI/c1-4-19-18(21-17-10-8-15(3)9-11-17)20-13-16-7-6-12-22(5-2)14-16;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeyJRZARGGLYAVQJS-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.47
Rot. Bonds5

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

1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide (PubChem CID 111256654) has the molecular formula C18H37IN4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
PubChem CID111256654
Molecular FormulaC18H37IN4
Molecular Weight436.43 g/mol
Exact Mass436.21
IUPAC Name1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCN(CC)C1)NC1CCC(C)CC1.I
InChIInChI=1S/C18H36N4.HI/c1-4-19-18(21-17-10-8-15(3)9-11-17)20-13-16-7-6-12-22(5-2)14-16;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H
InChIKeyJRZARGGLYAVQJS-UHFFFAOYSA-N
XLogP3.47
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.47
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'}

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Related Compounds

1-ethyl-3-(4-methylcyclohexyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111764347
1-ethyl-3-(4-methylcyclohexyl)-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111255562
1-cyclopropyl-3-ethyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111759477
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188328
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110986773
1-butyl-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111151529
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
CID 110986774
tert-butyl 3-[[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111017238
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111392249
1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110958506
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111190257
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-ethyl-3-(4-methylcyclohexyl)guanidine
CID 111256881

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide (CID 111256654) is 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide is CCN/C(=N\CC1CCCN(CC)C1)NC1CCC(C)CC1.I.
What is the InChIKey of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide?
The InChIKey is JRZARGGLYAVQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4.HI/c1-4-19-18(21-17-10-8-15(3)9-11-17)20-13-16-7-6-12-22(5-2)14-16;/h15-17H,4-14H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide?
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide has a molecular weight of 436.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111256654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).