N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide

C14H18N2O2 — CID 55160730

IUPACN'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide
SMILESN/C(=N\c1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C14H18N2O2/c15-14(10-4-2-1-3-5-10)16-11-6-7-12-13(8-11)18-9-17-12/h6-8,10H,1-5,9H2,(H2,15,16)
InChIKeyDKODWPACHDUEPG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds2

About N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide

N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide (PubChem CID 55160730) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide
PubChem CID55160730
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide
SMILESN/C(=N\c1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C14H18N2O2/c15-14(10-4-2-1-3-5-10)16-11-6-7-12-13(8-11)18-9-17-12/h6-8,10H,1-5,9H2,(H2,15,16)
InChIKeyDKODWPACHDUEPG-UHFFFAOYSA-N
XLogP2.98
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
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'-(1,3-benzodioxol-5-ylmethyl)cyclopentanecarboximidamide
CID 63174498
N'-(4-bromophenyl)cyclopentanecarboximidamide
CID 63178230
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine
CID 62481468
1,3-benzodioxol-5-yl(cycloheptyl)methanol
CID 82929316
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
N'-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-3-oxopropanimidamide
CID 58608744
cyclohexanecarboxamide;5-(2-methylidenepent-3-enyl)-1,3-benzodioxole
CID 89407594
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-cyclohexylmethanone
CID 113079595
(E)-3-(1,3-benzodioxol-5-yl)-3-cyclopentylprop-2-enoic acid
CID 82301465

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide (CID 55160730) is N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide is N/C(=N\c1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide?
The InChIKey is DKODWPACHDUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-14(10-4-2-1-3-5-10)16-11-6-7-12-13(8-11)18-9-17-12/h6-8,10H,1-5,9H2,(H2,15,16).
What are the key properties of N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide?
N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide has a molecular weight of 246.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide is sourced from PubChem (CID 55160730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).