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

C18H32N2S — CID 63405820

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C18H32N2S/c1-6-8-14-9-11-18(12-10-14,19-7-2)16-20-15(13-21-16)17(3,4)5/h13-14,19H,6-12H2,1-5H3
InChIKeyXOYLBKZFRHSFAL-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.24
Rot. Bonds5

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine (PubChem CID 63405820) 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)-N-ethyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine
PubChem CID63405820
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C18H32N2S/c1-6-8-14-9-11-18(12-10-14,19-7-2)16-20-15(13-21-16)17(3,4)5/h13-14,19H,6-12H2,1-5H3
InChIKeyXOYLBKZFRHSFAL-UHFFFAOYSA-N
XLogP5.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61331445
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103563911
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
CID 65088642
N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 63405345
N,4-diethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330024
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-propylpiperidin-4-amine
CID 61335761
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64751126
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine
CID 61333512
3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine
CID 79950253
N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085927
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine
CID 61332937
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753474

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine (CID 63405820) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine?
The InChIKey is XOYLBKZFRHSFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-8-14-9-11-18(12-10-14,19-7-2)16-20-15(13-21-16)17(3,4)5/h13-14,19H,6-12H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 5.24, 5 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)-N-ethyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63405820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).