N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine

C17H24N2S — CID 75445228

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
SMILESCN(Cc1nc2ccccc2s1)C1CCCCCCC1
InChIInChI=1S/C17H24N2S/c1-19(14-9-5-3-2-4-6-10-14)13-17-18-15-11-7-8-12-16(15)20-17/h7-8,11-12,14H,2-6,9-10,13H2,1H3
InChIKeyATBKKJSELPGSTJ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.84
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine

N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine (PubChem CID 75445228) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
PubChem CID75445228
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
SMILESCN(Cc1nc2ccccc2s1)C1CCCCCCC1
InChIInChI=1S/C17H24N2S/c1-19(14-9-5-3-2-4-6-10-14)13-17-18-15-11-7-8-12-16(15)20-17/h7-8,11-12,14H,2-6,9-10,13H2,1H3
InChIKeyATBKKJSELPGSTJ-UHFFFAOYSA-N
XLogP4.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-cyclohexylaniline
CID 164665828
N-(1,3-benzothiazol-2-ylmethyl)-N-(2-chloroethyl)cyclohexanamine
CID 104631988
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 71983420
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
CID 78774445
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N-(1,3-benzothiazol-2-ylmethyl)-3-[cyclohexyl(methyl)sulfamoyl]-N-methylbenzamide
CID 17411471
5-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[(4-methylphenyl)methyl]azepan-2-one
CID 56853391
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104631221
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine (CID 75445228) is N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine is CN(Cc1nc2ccccc2s1)C1CCCCCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine?
The InChIKey is ATBKKJSELPGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-19(14-9-5-3-2-4-6-10-14)13-17-18-15-11-7-8-12-16(15)20-17/h7-8,11-12,14H,2-6,9-10,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine?
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine has a molecular weight of 288.46 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine is sourced from PubChem (CID 75445228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).