N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide

C13H24N2O — CID 63176887

IUPACN'-(oxan-3-ylmethyl)cyclohexanecarboximidamide
SMILESN/C(=N\CC1CCCOC1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-13(12-6-2-1-3-7-12)15-9-11-5-4-8-16-10-11/h11-12H,1-10H2,(H2,14,15)
InChIKeyJQJKEXMEQGNXDQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.35
Rot. Bonds3

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

N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide (PubChem CID 63176887) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(oxan-3-ylmethyl)cyclohexanecarboximidamide
PubChem CID63176887
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-(oxan-3-ylmethyl)cyclohexanecarboximidamide
SMILESN/C(=N\CC1CCCOC1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-13(12-6-2-1-3-7-12)15-9-11-5-4-8-16-10-11/h11-12H,1-10H2,(H2,14,15)
InChIKeyJQJKEXMEQGNXDQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.35
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'-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide (CID 63176887) is N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide is N/C(=N\CC1CCCOC1)C1CCCCC1.
What is the InChIKey of N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
The InChIKey is JQJKEXMEQGNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-13(12-6-2-1-3-7-12)15-9-11-5-4-8-16-10-11/h11-12H,1-10H2,(H2,14,15).
What are the key properties of N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide?
N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide has a molecular weight of 224.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-3-ylmethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63176887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).