N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine

C18H23NO2 — CID 70140293

IUPACN-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
SMILESCN(c1ccc2c(c1)OCO2)C1CC2CC1C1CCCC21
InChIInChI=1S/C18H23NO2/c1-19(12-5-6-17-18(9-12)21-10-20-17)16-8-11-7-15(16)14-4-2-3-13(11)14/h5-6,9,11,13-16H,2-4,7-8,10H2,1H3
InChIKeyJMRUELNNKZPDRU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds2

About N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine

N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine (PubChem CID 70140293) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
PubChem CID70140293
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
SMILESCN(c1ccc2c(c1)OCO2)C1CC2CC1C1CCCC21
InChIInChI=1S/C18H23NO2/c1-19(12-5-6-17-18(9-12)21-10-20-17)16-8-11-7-15(16)14-4-2-3-13(11)14/h5-6,9,11,13-16H,2-4,7-8,10H2,1H3
InChIKeyJMRUELNNKZPDRU-UHFFFAOYSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
CID 43503205
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43503174
N-(1,3-benzodioxol-5-yl)-N-methylformamide
CID 10261671
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138004
N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide
CID 71903308
N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 82492500
N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine
CID 72609978
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
CID 117040529
2-[1,3-benzodioxol-5-yl(methyl)amino]ethanol
CID 82112129
N-(1,3-benzodioxol-5-yl)-N-methylpyrazolidine-3-carboxamide
CID 134071915
N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
CID 163777810
N-(3-bromopropyl)-N-methyl-1,3-benzodioxol-5-amine
CID 68690964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine (CID 70140293) is N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine is CN(c1ccc2c(c1)OCO2)C1CC2CC1C1CCCC21.
What is the InChIKey of N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
The InChIKey is JMRUELNNKZPDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(12-5-6-17-18(9-12)21-10-20-17)16-8-11-7-15(16)14-4-2-3-13(11)14/h5-6,9,11,13-16H,2-4,7-8,10H2,1H3.
What are the key properties of N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine?
N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine has a molecular weight of 285.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 70140293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).