N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide

C12H22N2O — CID 63174386

IUPACN'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide
SMILESN/C(=N\CC1CCOC1)C1CCCCC1
InChIInChI=1S/C12H22N2O/c13-12(11-4-2-1-3-5-11)14-8-10-6-7-15-9-10/h10-11H,1-9H2,(H2,13,14)
InChIKeySOJKRVWBZGVVSV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.96
Rot. Bonds3

About N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide

N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide (PubChem CID 63174386) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide
PubChem CID63174386
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide
SMILESN/C(=N\CC1CCOC1)C1CCCCC1
InChIInChI=1S/C12H22N2O/c13-12(11-4-2-1-3-5-11)14-8-10-6-7-15-9-10/h10-11H,1-9H2,(H2,13,14)
InChIKeySOJKRVWBZGVVSV-UHFFFAOYSA-N
XLogP1.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.96
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'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide (CID 63174386) is N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide is N/C(=N\CC1CCOC1)C1CCCCC1.
What is the InChIKey of N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide?
The InChIKey is SOJKRVWBZGVVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-12(11-4-2-1-3-5-11)14-8-10-6-7-15-9-10/h10-11H,1-9H2,(H2,13,14).
What are the key properties of N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide?
N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide has a molecular weight of 210.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-3-ylmethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63174386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).