N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine

C15H21NO2 — CID 64501654

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H21NO2/c1-11-2-4-13(8-11)16-10-12-3-5-14-15(9-12)18-7-6-17-14/h3,5,9,11,13,16H,2,4,6-8,10H2,1H3
InChIKeyLVVAVBDUZBIYCU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.74
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine (PubChem CID 64501654) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
PubChem CID64501654
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C15H21NO2/c1-11-2-4-13(8-11)16-10-12-3-5-14-15(9-12)18-7-6-17-14/h3,5,9,11,13,16H,2,4,6-8,10H2,1H3
InChIKeyLVVAVBDUZBIYCU-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylcyclopentan-1-amine
CID 115652898
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 60870118
3-methyl-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopentan-1-amine
CID 114544005
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine (CID 64501654) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine is CC1CCC(NCc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine?
The InChIKey is LVVAVBDUZBIYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-2-4-13(8-11)16-10-12-3-5-14-15(9-12)18-7-6-17-14/h3,5,9,11,13,16H,2,4,6-8,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64501654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).