2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine

C18H37N3O — CID 142339302

IUPAC2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine
SMILESCCCC(CC)N/C(=N/C1CCCCC1)N(CC)CCOC
InChIInChI=1S/C18H37N3O/c1-5-11-16(6-2)19-18(21(7-3)14-15-22-4)20-17-12-9-8-10-13-17/h16-17H,5-15H2,1-4H3,(H,19,20)
InChIKeyDZZJXUKPTNCOAN-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.81
Rot. Bonds9

About 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine

2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine (PubChem CID 142339302) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine
PubChem CID142339302
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine
SMILESCCCC(CC)N/C(=N/C1CCCCC1)N(CC)CCOC
InChIInChI=1S/C18H37N3O/c1-5-11-16(6-2)19-18(21(7-3)14-15-22-4)20-17-12-9-8-10-13-17/h16-17H,5-15H2,1-4H3,(H,19,20)
InChIKeyDZZJXUKPTNCOAN-UHFFFAOYSA-N
XLogP3.81
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine (CID 142339302) is 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine is CCCC(CC)N/C(=N/C1CCCCC1)N(CC)CCOC.
What is the InChIKey of 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine?
The InChIKey is DZZJXUKPTNCOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-5-11-16(6-2)19-18(21(7-3)14-15-22-4)20-17-12-9-8-10-13-17/h16-17H,5-15H2,1-4H3,(H,19,20).
What are the key properties of 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine?
2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine has a molecular weight of 311.51 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 142339302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).