N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide

C13H24N2O — CID 63178110

IUPACN'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide
SMILESN/C(=N\CCC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-13(11-5-2-1-3-6-11)15-9-8-12-7-4-10-16-12/h11-12H,1-10H2,(H2,14,15)
InChIKeyTXHLFWSVXRRSHN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.49
Rot. Bonds4

About N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide

N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide (PubChem CID 63178110) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide
PubChem CID63178110
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide
SMILESN/C(=N\CCC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-13(11-5-2-1-3-6-11)15-9-8-12-7-4-10-16-12/h11-12H,1-10H2,(H2,14,15)
InChIKeyTXHLFWSVXRRSHN-UHFFFAOYSA-N
XLogP2.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.49
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-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide (CID 63178110) is N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide is N/C(=N\CCC1CCCO1)C1CCCCC1.
What is the InChIKey of N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide?
The InChIKey is TXHLFWSVXRRSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-13(11-5-2-1-3-6-11)15-9-8-12-7-4-10-16-12/h11-12H,1-10H2,(H2,14,15).
What are the key properties of N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide?
N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide has a molecular weight of 224.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(oxolan-2-yl)ethyl]cyclohexanecarboximidamide is sourced from PubChem (CID 63178110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).