N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine

C17H24N2S — CID 65082467

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C17H24N2S/c1-2-13-6-5-7-14(11-10-13)18-12-17-19-15-8-3-4-9-16(15)20-17/h3-4,8-9,13-14,18H,2,5-7,10-12H2,1H3
InChIKeyYTDDSFQKJZBOIB-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.74
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine

N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine (PubChem CID 65082467) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
PubChem CID65082467
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C17H24N2S/c1-2-13-6-5-7-14(11-10-13)18-12-17-19-15-8-3-4-9-16(15)20-17/h3-4,8-9,13-14,18H,2,5-7,10-12H2,1H3
InChIKeyYTDDSFQKJZBOIB-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
N-[[2-(1,3-benzothiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825698
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 104631488
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
CID 64656359
2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
CID 22989637

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine (CID 65082467) is N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine is CCC1CCCC(NCc2nc3ccccc3s2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine?
The InChIKey is YTDDSFQKJZBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-2-13-6-5-7-14(11-10-13)18-12-17-19-15-8-3-4-9-16(15)20-17/h3-4,8-9,13-14,18H,2,5-7,10-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine?
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65082467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).