N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine

C14H24N2S — CID 81026356

IUPACN-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1nccs1
InChIInChI=1S/C14H24N2S/c1-2-15-11-13-7-5-3-4-6-12(13)10-14-16-8-9-17-14/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyAGASIMGJCVIPGX-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.49
Rot. Bonds5

About N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine

N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine (PubChem CID 81026356) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
PubChem CID81026356
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1nccs1
InChIInChI=1S/C14H24N2S/c1-2-15-11-13-7-5-3-4-6-12(13)10-14-16-8-9-17-14/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyAGASIMGJCVIPGX-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine (CID 81026356) is N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1Cc1nccs1.
What is the InChIKey of N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine?
The InChIKey is AGASIMGJCVIPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-15-11-13-7-5-3-4-6-12(13)10-14-16-8-9-17-14/h8-9,12-13,15H,2-7,10-11H2,1H3.
What are the key properties of N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine?
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81026356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).