1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine

C15H21NO3 — CID 117413022

IUPAC1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine
SMILESCOCc1cc2c(cc1C1(N)CCCCC1)OCO2
InChIInChI=1S/C15H21NO3/c1-17-9-11-7-13-14(19-10-18-13)8-12(11)15(16)5-3-2-4-6-15/h7-8H,2-6,9-10,16H2,1H3
InChIKeyVNPIEZFQIIFEAZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.68
Rot. Bonds3

About 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine

1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine (PubChem CID 117413022) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine
PubChem CID117413022
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine
SMILESCOCc1cc2c(cc1C1(N)CCCCC1)OCO2
InChIInChI=1S/C15H21NO3/c1-17-9-11-7-13-14(19-10-18-13)8-12(11)15(16)5-3-2-4-6-15/h7-8H,2-6,9-10,16H2,1H3
InChIKeyVNPIEZFQIIFEAZ-UHFFFAOYSA-N
XLogP2.68
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine (CID 117413022) is 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine is COCc1cc2c(cc1C1(N)CCCCC1)OCO2.
What is the InChIKey of 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine?
The InChIKey is VNPIEZFQIIFEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-9-11-7-13-14(19-10-18-13)8-12(11)15(16)5-3-2-4-6-15/h7-8H,2-6,9-10,16H2,1H3.
What are the key properties of 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine?
1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 117413022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).