3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine

C16H26N2S — CID 79817749

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(Cc2nc(C(C)(C)C)cs2)=CC(N)C1
InChIInChI=1S/C16H26N2S/c1-15(2,3)13-10-19-14(18-13)7-11-6-12(17)9-16(4,5)8-11/h6,10,12H,7-9,17H2,1-5H3
InChIKeyIMKGTWOVZNNNMN-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.06
Rot. Bonds2

About 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 79817749) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID79817749
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(Cc2nc(C(C)(C)C)cs2)=CC(N)C1
InChIInChI=1S/C16H26N2S/c1-15(2,3)13-10-19-14(18-13)7-11-6-12(17)9-16(4,5)8-11/h6,10,12H,7-9,17H2,1-5H3
InChIKeyIMKGTWOVZNNNMN-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 79816991
5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-amine
CID 79826392
3-[(4-tert-butylphenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65177028
4-tert-butyl-2-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole
CID 79816785
3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
CID 80562975
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539038
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 83196388
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999371
3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65176745
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 114049656
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917529
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 79818210

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine (CID 79817749) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine is CC1(C)CC(Cc2nc(C(C)(C)C)cs2)=CC(N)C1.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is IMKGTWOVZNNNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-15(2,3)13-10-19-14(18-13)7-11-6-12(17)9-16(4,5)8-11/h6,10,12H,7-9,17H2,1-5H3.
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 278.46 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 79817749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).