N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine

C15H21N3S — CID 66353624

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine
SMILESCN(c1snc2ccccc12)C1CCCCC1CN
InChIInChI=1S/C15H21N3S/c1-18(14-9-5-2-6-11(14)10-16)15-12-7-3-4-8-13(12)17-19-15/h3-4,7-8,11,14H,2,5-6,9-10,16H2,1H3
InChIKeyFHORDRNPSOJMJW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.25
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine

N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine (PubChem CID 66353624) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine
PubChem CID66353624
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine
SMILESCN(c1snc2ccccc12)C1CCCCC1CN
InChIInChI=1S/C15H21N3S/c1-18(14-9-5-2-6-11(14)10-16)15-12-7-3-4-8-13(12)17-19-15/h3-4,7-8,11,14H,2,5-6,9-10,16H2,1H3
InChIKeyFHORDRNPSOJMJW-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine (CID 66353624) is N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine is CN(c1snc2ccccc12)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine?
The InChIKey is FHORDRNPSOJMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-18(14-9-5-2-6-11(14)10-16)15-12-7-3-4-8-13(12)17-19-15/h3-4,7-8,11,14H,2,5-6,9-10,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine?
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine has a molecular weight of 275.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine is sourced from PubChem (CID 66353624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).