1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine

C18H36N4 — CID 111257031

IUPAC1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCC1CCN(C)CC1)NC1CCC(C)CC1
InChIInChI=1S/C18H36N4/c1-4-19-18(21-17-7-5-15(2)6-8-17)20-12-9-16-10-13-22(3)14-11-16/h15-17H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyYRJTUWSNKYAWKC-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.85
Rot. Bonds5

About 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine

1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (PubChem CID 111257031) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
PubChem CID111257031
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCC1CCN(C)CC1)NC1CCC(C)CC1
InChIInChI=1S/C18H36N4/c1-4-19-18(21-17-7-5-15(2)6-8-17)20-12-9-16-10-13-22(3)14-11-16/h15-17H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyYRJTUWSNKYAWKC-UHFFFAOYSA-N
XLogP2.85
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.85
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'}

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Related Compounds

1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017649
1-ethyl-3-(4-methylcyclohexyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111764347
1-cyclopropyl-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110989230
N-ethyl-4-methyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111212028
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111256896
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111257033
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111257032
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111784325
1-ethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-pentylguanidine
CID 111129371
1-ethyl-3-(4-methylcyclohexyl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111257175
1-ethyl-3-(4-methylcyclohexyl)-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111255562

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (CID 111257031) is 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine is CCN/C(=N\CCC1CCN(C)CC1)NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The InChIKey is YRJTUWSNKYAWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-4-19-18(21-17-7-5-15(2)6-8-17)20-12-9-16-10-13-22(3)14-11-16/h15-17H,4-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine has a molecular weight of 308.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine is sourced from PubChem (CID 111257031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).