N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine

C18H31N3S — CID 143125786

IUPACN,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine
SMILESCC.CN(C)C1CCCCC1.CNc1nc2ccccc2s1
InChIInChI=1S/C8H8N2S.C8H17N.C2H6/c1-9-8-10-6-4-2-3-5-7(6)11-8;1-9(2)8-6-4-3-5-7-8;1-2/h2-5H,1H3,(H,9,10);8H,3-7H2,1-2H3;1-2H3
InChIKeyDKRVLDXLWXNAQO-UHFFFAOYSA-N
MW321.53 g/mol
LogP5.24
Rot. Bonds2

About N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine

N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine (PubChem CID 143125786) has the molecular formula C18H31N3S and a molecular weight of 321.53 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine
PubChem CID143125786
Molecular FormulaC18H31N3S
Molecular Weight321.53 g/mol
Exact Mass321.22
IUPAC NameN,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine
SMILESCC.CN(C)C1CCCCC1.CNc1nc2ccccc2s1
InChIInChI=1S/C8H8N2S.C8H17N.C2H6/c1-9-8-10-6-4-2-3-5-7(6)11-8;1-9(2)8-6-4-3-5-7-8;1-2/h2-5H,1H3,(H,9,10);8H,3-7H2,1-2H3;1-2H3
InChIKeyDKRVLDXLWXNAQO-UHFFFAOYSA-N
XLogP5.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
trans-(1R,2R)-2-N-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955
2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine
CID 155772629
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 80675483

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine (CID 143125786) is N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine is CC.CN(C)C1CCCCC1.CNc1nc2ccccc2s1.
What is the InChIKey of N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is DKRVLDXLWXNAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.C8H17N.C2H6/c1-9-8-10-6-4-2-3-5-7(6)11-8;1-9(2)8-6-4-3-5-7-8;1-2/h2-5H,1H3,(H,9,10);8H,3-7H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine?
N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 321.53 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 143125786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).