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

C15H26N2S — CID 60759997

IUPAC4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11-10-18-14(17-11)9-16-13-7-5-12(6-8-13)15(2,3)4/h10,12-13,16H,5-9H2,1-4H3
InChIKeyIAZMEVHROLSKOU-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.15
Rot. Bonds3

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

4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 60759997) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID60759997
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N2S/c1-11-10-18-14(17-11)9-16-13-7-5-12(6-8-13)15(2,3)4/h10,12-13,16H,5-9H2,1-4H3
InChIKeyIAZMEVHROLSKOU-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 60759997) is 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is Cc1csc(CNC2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is IAZMEVHROLSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-11-10-18-14(17-11)9-16-13-7-5-12(6-8-13)15(2,3)4/h10,12-13,16H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60759997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).