1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine

C18H32N2S — CID 64751126

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C18H32N2S/c1-7-8-19-18(10-13(2)9-14(3)11-18)16-20-15(12-21-16)17(4,5)6/h12-14,19H,7-11H2,1-6H3
InChIKeyZJBPCRDEZHBWCK-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.09
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64751126) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64751126
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C18H32N2S/c1-7-8-19-18(10-13(2)9-14(3)11-18)16-20-15(12-21-16)17(4,5)6/h12-14,19H,7-11H2,1-6H3
InChIKeyZJBPCRDEZHBWCK-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64751126) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is ZJBPCRDEZHBWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-7-8-19-18(10-13(2)9-14(3)11-18)16-20-15(12-21-16)17(4,5)6/h12-14,19H,7-11H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64751126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).