N'-(2-ethoxyethyl)cyclohexanecarboximidamide

C11H22N2O — CID 63174391

IUPACN'-(2-ethoxyethyl)cyclohexanecarboximidamide
SMILESCCOCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H22N2O/c1-2-14-9-8-13-11(12)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyTXMBCMZKXPPSKG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.96
Rot. Bonds5

About N'-(2-ethoxyethyl)cyclohexanecarboximidamide

N'-(2-ethoxyethyl)cyclohexanecarboximidamide (PubChem CID 63174391) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)cyclohexanecarboximidamide
PubChem CID63174391
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN'-(2-ethoxyethyl)cyclohexanecarboximidamide
SMILESCCOCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H22N2O/c1-2-14-9-8-13-11(12)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyTXMBCMZKXPPSKG-UHFFFAOYSA-N
XLogP1.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-(2-ethoxyethyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(2-ethoxyethyl)cyclohexanecarboximidamide (CID 63174391) is N'-(2-ethoxyethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(2-ethoxyethyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(2-ethoxyethyl)cyclohexanecarboximidamide is CCOCC/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-(2-ethoxyethyl)cyclohexanecarboximidamide?
The InChIKey is TXMBCMZKXPPSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-14-9-8-13-11(12)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-(2-ethoxyethyl)cyclohexanecarboximidamide?
N'-(2-ethoxyethyl)cyclohexanecarboximidamide has a molecular weight of 198.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63174391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).