N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine

C15H26N2S — CID 43109629

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCCC(C)C2C)c(C)s1
InChIInChI=1S/C15H26N2S/c1-9-7-6-8-14(10(9)2)16-11(3)15-12(4)18-13(5)17-15/h9-11,14,16H,6-8H2,1-5H3
InChIKeyDYTMSKULFJAMEY-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.24
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 43109629) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID43109629
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCCC(C)C2C)c(C)s1
InChIInChI=1S/C15H26N2S/c1-9-7-6-8-14(10(9)2)16-11(3)15-12(4)18-13(5)17-15/h9-11,14,16H,6-8H2,1-5H3
InChIKeyDYTMSKULFJAMEY-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine (CID 43109629) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine is Cc1nc(C(C)NC2CCCC(C)C2C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is DYTMSKULFJAMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-9-7-6-8-14(10(9)2)16-11(3)15-12(4)18-13(5)17-15/h9-11,14,16H,6-8H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43109629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).