2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine

C13H22N2S — CID 115732727

IUPAC2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCc1cncs1
InChIInChI=1S/C13H22N2S/c1-10-6-13(2,3)5-4-12(10)15-8-11-7-14-9-16-11/h7,9-10,12,15H,4-6,8H2,1-3H3
InChIKeyAJXXFVPYFKTQIW-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.45
Rot. Bonds3

About 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine

2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 115732727) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID115732727
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCc1cncs1
InChIInChI=1S/C13H22N2S/c1-10-6-13(2,3)5-4-12(10)15-8-11-7-14-9-16-11/h7,9-10,12,15H,4-6,8H2,1-3H3
InChIKeyAJXXFVPYFKTQIW-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (CID 115732727) is 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is CC1CC(C)(C)CCC1NCc1cncs1.
What is the InChIKey of 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is AJXXFVPYFKTQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-6-13(2,3)5-4-12(10)15-8-11-7-14-9-16-11/h7,9-10,12,15H,4-6,8H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 115732727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).