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

C14H24N2S — CID 43201171

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCC(C)CC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-9-5-7-13(8-6-9)15-10(2)14-11(3)17-12(4)16-14/h9-10,13,15H,5-8H2,1-4H3
InChIKeyBOODCEWXDWYFKE-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.99
Rot. Bonds3

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 43201171) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID43201171
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCC(C)CC2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-9-5-7-13(8-6-9)15-10(2)14-11(3)17-12(4)16-14/h9-10,13,15H,5-8H2,1-4H3
InChIKeyBOODCEWXDWYFKE-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.99
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]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine (CID 43201171) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine is Cc1nc(C(C)NC2CCC(C)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is BOODCEWXDWYFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9-5-7-13(8-6-9)15-10(2)14-11(3)17-12(4)16-14/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.99, 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]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43201171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).