N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide

C13H24N2O2 — CID 104766085

IUPACN'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide
SMILESCOC1(C/N=C(\N)C2CCCCC2)CCOC1
InChIInChI=1S/C13H24N2O2/c1-16-13(7-8-17-10-13)9-15-12(14)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,14,15)
InChIKeyLRSYCFZVAALJLN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.73
Rot. Bonds4

About N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide

N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide (PubChem CID 104766085) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide
PubChem CID104766085
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide
SMILESCOC1(C/N=C(\N)C2CCCCC2)CCOC1
InChIInChI=1S/C13H24N2O2/c1-16-13(7-8-17-10-13)9-15-12(14)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,14,15)
InChIKeyLRSYCFZVAALJLN-UHFFFAOYSA-N
XLogP1.73
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide
CID 63174386
N'-[2-(2-methoxyethoxy)ethyl]cyclohexanecarboximidamide
CID 63176324
N'-[(2-methyloxolan-2-yl)methyl]cyclohexanecarboximidamide
CID 80193381
N'-[(3-methoxyoxolan-3-yl)methyl]cyclopentanecarboximidamide
CID 104766084
N'-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropanimidamide
CID 104766086
N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
CID 104766087
N'-[(3-methoxyoxolan-3-yl)methyl]butanimidamide
CID 104766088
N'-[3-(2-methoxyethoxy)propyl]cyclohexanecarboximidamide
CID 105685679
N'-(2,3-dimethoxypropyl)cyclohexanecarboximidamide
CID 105709704
N'-[(2-methyloxolan-3-yl)methyl]cyclohexanecarboximidamide
CID 105746175
N'-[4-(2-methoxyethoxy)butyl]cyclohexanecarboximidamide
CID 113464178
N'-(2-ethoxy-2-methylpropyl)cyclohexanecarboximidamide
CID 114944273

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide (CID 104766085) is N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide is COC1(C/N=C(\N)C2CCCCC2)CCOC1.
What is the InChIKey of N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide?
The InChIKey is LRSYCFZVAALJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-16-13(7-8-17-10-13)9-15-12(14)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H2,14,15).
What are the key properties of N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide?
N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide has a molecular weight of 240.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyoxolan-3-yl)methyl]cyclohexanecarboximidamide is sourced from PubChem (CID 104766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).