N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide

C14H28N2O — CID 55159967

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(CCOC)CC(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)11-16(9-10-17-3)14(15)13-7-5-4-6-8-13/h12-13,15H,4-11H2,1-3H3/b15-14-
InChIKeyCVZTXAIJLWBOFC-PFONDFGASA-N
MW240.39 g/mol
LogP3.15
Rot. Bonds6

About N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide

N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide (PubChem CID 55159967) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide
PubChem CID55159967
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(CCOC)CC(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)11-16(9-10-17-3)14(15)13-7-5-4-6-8-13/h12-13,15H,4-11H2,1-3H3/b15-14-
InChIKeyCVZTXAIJLWBOFC-PFONDFGASA-N
XLogP3.15
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.15
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 N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide (CID 55159967) is N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(CCOC)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide?
The InChIKey is CVZTXAIJLWBOFC-PFONDFGASA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)11-16(9-10-17-3)14(15)13-7-5-4-6-8-13/h12-13,15H,4-11H2,1-3H3/b15-14-.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide has a molecular weight of 240.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexanecarboximidamide is sourced from PubChem (CID 55159967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).