N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide

C14H28N2O2 — CID 113464178

IUPACN'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide
SMILESCOCCOCCCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-17-11-12-18-10-6-5-9-16-14(15)13-7-3-2-4-8-13/h13H,2-12H2,1H3,(H2,15,16)
InChIKeyJROLSJAKGNGMHJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.37
Rot. Bonds9

About N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide

N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide (PubChem CID 113464178) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide
PubChem CID113464178
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide
SMILESCOCCOCCCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-17-11-12-18-10-6-5-9-16-14(15)13-7-3-2-4-8-13/h13H,2-12H2,1H3,(H2,15,16)
InChIKeyJROLSJAKGNGMHJ-UHFFFAOYSA-N
XLogP2.37
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide (CID 113464178) is N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide is COCCOCCCC/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide?
The InChIKey is JROLSJAKGNGMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-11-12-18-10-6-5-9-16-14(15)13-7-3-2-4-8-13/h13H,2-12H2,1H3,(H2,15,16).
What are the key properties of N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide?
N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide has a molecular weight of 256.39 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide is sourced from PubChem (CID 113464178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).