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

C18H32N2S — CID 64741879

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC1CCC(C)C(C)C1
InChIInChI=1S/C18H32N2S/c1-11-8-9-15(10-12(11)2)19-13(3)16-14(4)20-17(21-16)18(5,6)7/h11-13,15,19H,8-10H2,1-7H3
InChIKeyHZDCQMOHMXCFCW-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.22
Rot. Bonds3

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

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64741879) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64741879
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC1CCC(C)C(C)C1
InChIInChI=1S/C18H32N2S/c1-11-8-9-15(10-12(11)2)19-13(3)16-14(4)20-17(21-16)18(5,6)7/h11-13,15,19H,8-10H2,1-7H3
InChIKeyHZDCQMOHMXCFCW-UHFFFAOYSA-N
XLogP5.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine (CID 64741879) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine is Cc1nc(C(C)(C)C)sc1C(C)NC1CCC(C)C(C)C1.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is HZDCQMOHMXCFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-11-8-9-15(10-12(11)2)19-13(3)16-14(4)20-17(21-16)18(5,6)7/h11-13,15,19H,8-10H2,1-7H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64741879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).