N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine

C16H28N2S — CID 115586406

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2csc(C(C)(C)C)n2)C1C
InChIInChI=1S/C16H28N2S/c1-11-7-6-8-14(12(11)2)17-9-13-10-19-15(18-13)16(3,4)5/h10-12,14,17H,6-9H2,1-5H3
InChIKeyLYPWHYQBZJUJKD-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.35
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 115586406) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID115586406
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2csc(C(C)(C)C)n2)C1C
InChIInChI=1S/C16H28N2S/c1-11-7-6-8-14(12(11)2)17-9-13-10-19-15(18-13)16(3,4)5/h10-12,14,17H,6-9H2,1-5H3
InChIKeyLYPWHYQBZJUJKD-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 115586406) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCc2csc(C(C)(C)C)n2)C1C.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is LYPWHYQBZJUJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11-7-6-8-14(12(11)2)17-9-13-10-19-15(18-13)16(3,4)5/h10-12,14,17H,6-9H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115586406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).