1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine

C15H26N2S — CID 61332915

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C15H26N2S/c1-5-6-13-7-9-15(16-4,10-8-13)14-17-11(2)12(3)18-14/h13,16H,5-10H2,1-4H3
InChIKeyHDVYHMRZSPWHSH-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.16
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 61332915) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID61332915
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C15H26N2S/c1-5-6-13-7-9-15(16-4,10-8-13)14-17-11(2)12(3)18-14/h13,16H,5-10H2,1-4H3
InChIKeyHDVYHMRZSPWHSH-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine (CID 61332915) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)(c2nc(C)c(C)s2)CC1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is HDVYHMRZSPWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-6-13-7-9-15(16-4,10-8-13)14-17-11(2)12(3)18-14/h13,16H,5-10H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 61332915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).