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

C13H22N2S — CID 115724485

IUPAC2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CNC2C(C)CCCC2C)s1
InChIInChI=1S/C13H22N2S/c1-9-5-4-6-10(2)13(9)15-8-12-14-7-11(3)16-12/h7,9-10,13,15H,4-6,8H2,1-3H3
InChIKeyXYMRLVYJSABSHR-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.37
Rot. Bonds3

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

2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 115724485) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID115724485
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CNC2C(C)CCCC2C)s1
InChIInChI=1S/C13H22N2S/c1-9-5-4-6-10(2)13(9)15-8-12-14-7-11(3)16-12/h7,9-10,13,15H,4-6,8H2,1-3H3
InChIKeyXYMRLVYJSABSHR-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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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115886422
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
CID 63279843
cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 124731701
1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786303
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 115724485) is 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is Cc1cnc(CNC2C(C)CCCC2C)s1.
What is the InChIKey of 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is XYMRLVYJSABSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-5-4-6-10(2)13(9)15-8-12-14-7-11(3)16-12/h7,9-10,13,15H,4-6,8H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-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-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115724485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).