1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine

C14H19NO2 — CID 82129060

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
SMILESCNC1(Cc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C14H19NO2/c1-15-14(6-2-3-7-14)9-11-4-5-12-13(8-11)17-10-16-12/h4-5,8,15H,2-3,6-7,9-10H2,1H3
InChIKeyJKDMLFZBYOLQQS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.49
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine

1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine (PubChem CID 82129060) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
PubChem CID82129060
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
SMILESCNC1(Cc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C14H19NO2/c1-15-14(6-2-3-7-14)9-11-4-5-12-13(8-11)17-10-16-12/h4-5,8,15H,2-3,6-7,9-10H2,1H3
InChIKeyJKDMLFZBYOLQQS-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 94697451
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 82128067
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929377
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
(3S)-3-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-amine
CID 122446387
1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine
CID 46889878
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine (CID 82129060) is 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine is CNC1(Cc2ccc3c(c2)OCO3)CCCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine?
The InChIKey is JKDMLFZBYOLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-14(6-2-3-7-14)9-11-4-5-12-13(8-11)17-10-16-12/h4-5,8,15H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine?
1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 82129060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).