1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine

C14H24N2S — CID 81314438

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C)(C)CC2C)sc1C
InChIInChI=1S/C14H24N2S/c1-9-8-13(4,5)6-7-14(9,15)12-16-10(2)11(3)17-12/h9H,6-8,15H2,1-5H3
InChIKeyQDQPTWNNJVKMMW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.76
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81314438) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81314438
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C)(C)CC2C)sc1C
InChIInChI=1S/C14H24N2S/c1-9-8-13(4,5)6-7-14(9,15)12-16-10(2)11(3)17-12/h9H,6-8,15H2,1-5H3
InChIKeyQDQPTWNNJVKMMW-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.76
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)-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine (CID 81314438) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine is Cc1nc(C2(N)CCC(C)(C)CC2C)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is QDQPTWNNJVKMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9-8-13(4,5)6-7-14(9,15)12-16-10(2)11(3)17-12/h9H,6-8,15H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.76, 1 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)-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81314438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).