1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine

C16H28N2S — CID 81030981

IUPAC1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1Cc1nccs1
InChIInChI=1S/C16H28N2S/c1-16(2,3)14-6-5-12(11-17-4)13(9-14)10-15-18-7-8-19-15/h7-8,12-14,17H,5-6,9-11H2,1-4H3
InChIKeyHZOUTDYQRXJJOM-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.98
Rot. Bonds4

About 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81030981) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
PubChem CID81030981
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)(C)C)CC1Cc1nccs1
InChIInChI=1S/C16H28N2S/c1-16(2,3)14-6-5-12(11-17-4)13(9-14)10-15-18-7-8-19-15/h7-8,12-14,17H,5-6,9-11H2,1-4H3
InChIKeyHZOUTDYQRXJJOM-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030835
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468
1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025461
N,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
CID 79823752
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 81017373
N-methyl-2-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824079
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
CID 81030983
1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025372
2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride
CID 120966476
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356
1-[4-tert-butyl-2-(3,5-difluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81025455

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine (CID 81030981) is 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)(C)C)CC1Cc1nccs1.
What is the InChIKey of 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is HZOUTDYQRXJJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-16(2,3)14-6-5-12(11-17-4)13(9-14)10-15-18-7-8-19-15/h7-8,12-14,17H,5-6,9-11H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 280.48 g/mol, XLogP of 3.98, 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-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81030981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).