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

C14H19NO2 — CID 43190395

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO2/c1-10(15-12-4-2-3-5-12)11-6-7-13-14(8-11)17-9-16-13/h6-8,10,12,15H,2-5,9H2,1H3
InChIKeyMJCHPFCLKQNXOT-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.01
Rot. Bonds3

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

N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine (PubChem CID 43190395) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
PubChem CID43190395
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
SMILESCC(NC1CCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO2/c1-10(15-12-4-2-3-5-12)11-6-7-13-14(8-11)17-9-16-13/h6-8,10,12,15H,2-5,9H2,1H3
InChIKeyMJCHPFCLKQNXOT-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
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
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
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
[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
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile
CID 62670899

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine (CID 43190395) is N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine is CC(NC1CCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine?
The InChIKey is MJCHPFCLKQNXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(15-12-4-2-3-5-12)11-6-7-13-14(8-11)17-9-16-13/h6-8,10,12,15H,2-5,9H2,1H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine?
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine has a molecular weight of 233.31 g/mol, XLogP of 3.01, 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]cyclopentanamine is sourced from PubChem (CID 43190395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).