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

C13H22N2S — CID 79836256

IUPAC2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCCC2(C)C)n1
InChIInChI=1S/C13H22N2S/c1-10-9-16-12(15-10)8-14-11-6-4-5-7-13(11,2)3/h9,11,14H,4-8H2,1-3H3
InChIKeyLNHNYACIWAWHRN-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.51
Rot. Bonds3

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

2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79836256) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID79836256
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCCC2(C)C)n1
InChIInChI=1S/C13H22N2S/c1-10-9-16-12(15-10)8-14-11-6-4-5-7-13(11,2)3/h9,11,14H,4-8H2,1-3H3
InChIKeyLNHNYACIWAWHRN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 79836256) is 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is Cc1csc(CNC2CCCCC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is LNHNYACIWAWHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-9-16-12(15-10)8-14-11-6-4-5-7-13(11,2)3/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79836256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).