N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine

C15H21NO2 — CID 43189952

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-11(16-13-5-3-2-4-6-13)12-7-8-14-15(9-12)18-10-17-14/h7-9,11,13,16H,2-6,10H2,1H3
InChIKeyBTBNCMFDKPYFNE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine

N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine (PubChem CID 43189952) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
PubChem CID43189952
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-11(16-13-5-3-2-4-6-13)12-7-8-14-15(9-12)18-10-17-14/h7-9,11,13,16H,2-6,10H2,1H3
InChIKeyBTBNCMFDKPYFNE-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
CID 61171729
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]oxan-4-amine
CID 43609831
2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile
CID 62670899
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 84588722
2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile
CID 62670734

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine (CID 43189952) is N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine is CC(NC1CCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine?
The InChIKey is BTBNCMFDKPYFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(16-13-5-3-2-4-6-13)12-7-8-14-15(9-12)18-10-17-14/h7-9,11,13,16H,2-6,10H2,1H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine?
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine has a molecular weight of 247.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 43189952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).