N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine

C13H17NO2 — CID 871518

IUPACN-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
SMILESc1cc2c(cc1CNC1CCCC1)OCO2
InChIInChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2
InChIKeyLOYZMUZNAPZSOX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.45
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine

N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine (PubChem CID 871518) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
PubChem CID871518
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
SMILESc1cc2c(cc1CNC1CCCC1)OCO2
InChIInChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2
InChIKeyLOYZMUZNAPZSOX-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1615
3,4-Methylenedioxyamphetamine
CID 1614
Methylenedioxyethamphetamine
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N-Methyl-3,4-methylenedioxyamphetamine Hydrochloride
CID 71285
1-Piperonylpiperazine
CID 94426
(+)-3,4-(Methylenedioxy)amphetamine
CID 3050061
3,4-Mdpa
CID 559375
Benzo-1,3-dioxole-5-methylamine
CID 75799
1,3-Benzodioxole-5-ethanamine
CID 73874
MDE hydrochloride
CID 3057998
(-)-3,4-(Methylenedioxy)amphetamine
CID 3046161
N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine
CID 124844

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine (CID 871518) is N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine is c1cc2c(cc1CNC1CCCC1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine?
The InChIKey is LOYZMUZNAPZSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine?
N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine has a molecular weight of 219.28 g/mol, XLogP of 2.45, 3 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-ylmethyl)cyclopentanamine is sourced from PubChem (CID 871518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).