N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine

C15H21NO2 — CID 62634107

IUPACN-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine
SMILESCC(NCc1cccc2c1OCO2)C1CCCC1
InChIInChI=1S/C15H21NO2/c1-11(12-5-2-3-6-12)16-9-13-7-4-8-14-15(13)18-10-17-14/h4,7-8,11-12,16H,2-3,5-6,9-10H2,1H3
InChIKeyBBTKZRHFDAMNPB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.08
Rot. Bonds4

About N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine

N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine (PubChem CID 62634107) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine
PubChem CID62634107
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine
SMILESCC(NCc1cccc2c1OCO2)C1CCCC1
InChIInChI=1S/C15H21NO2/c1-11(12-5-2-3-6-12)16-9-13-7-4-8-14-15(13)18-10-17-14/h4,7-8,11-12,16H,2-3,5-6,9-10H2,1H3
InChIKeyBBTKZRHFDAMNPB-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1,3-benzodioxol-4-ylmethylamino)propan-1-ol
CID 93187645
N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutan-2-amine
CID 115623154
1-(azepan-2-yl)-N-(1,3-benzodioxol-4-ylmethyl)propan-2-amine
CID 79540466
2-(1,3-benzodioxol-4-ylmethylamino)-3-methylbutan-1-ol
CID 79254249
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81349856
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
6-[[[(1S)-1-cycloheptylethyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 81391191
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine (CID 62634107) is N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine is CC(NCc1cccc2c1OCO2)C1CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine?
The InChIKey is BBTKZRHFDAMNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(12-5-2-3-6-12)16-9-13-7-4-8-14-15(13)18-10-17-14/h4,7-8,11-12,16H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine?
N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine is sourced from PubChem (CID 62634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).