3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

C14H24N2S — CID 63829195

IUPAC3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NCCc2cscn2)CC(C)(C)C1
InChIInChI=1S/C14H24N2S/c1-11-6-13(8-14(2,3)7-11)15-5-4-12-9-17-10-16-12/h9-11,13,15H,4-8H2,1-3H3
InChIKeyDVBZASGACBCISE-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.49
Rot. Bonds4

About 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 63829195) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID63829195
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NCCc2cscn2)CC(C)(C)C1
InChIInChI=1S/C14H24N2S/c1-11-6-13(8-14(2,3)7-11)15-5-4-12-9-17-10-16-12/h9-11,13,15H,4-8H2,1-3H3
InChIKeyDVBZASGACBCISE-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (CID 63829195) is 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is CC1CC(NCCc2cscn2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is DVBZASGACBCISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-6-13(8-14(2,3)7-11)15-5-4-12-9-17-10-16-12/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63829195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).