2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine

C13H22N2S — CID 63279843

IUPAC2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1ncsc1CNC1C(C)CCCC1C
InChIInChI=1S/C13H22N2S/c1-9-5-4-6-10(2)13(9)14-7-12-11(3)15-8-16-12/h8-10,13-14H,4-7H2,1-3H3
InChIKeyUJMNCCOIBXYZOR-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.37
Rot. Bonds3

About 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine

2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 63279843) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID63279843
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1ncsc1CNC1C(C)CCCC1C
InChIInChI=1S/C13H22N2S/c1-9-5-4-6-10(2)13(9)14-7-12-11(3)15-8-16-12/h8-10,13-14H,4-7H2,1-3H3
InChIKeyUJMNCCOIBXYZOR-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine (CID 63279843) is 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine is Cc1ncsc1CNC1C(C)CCCC1C.
What is the InChIKey of 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is UJMNCCOIBXYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-5-4-6-10(2)13(9)14-7-12-11(3)15-8-16-12/h8-10,13-14H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine?
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63279843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).