N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C16H28N2S — CID 103965734

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCc1nc(C)c(CNC2CC(C)(C)CC(C)(C)C2)s1
InChIInChI=1S/C16H28N2S/c1-11-14(19-12(2)18-11)9-17-13-7-15(3,4)10-16(5,6)8-13/h13,17H,7-10H2,1-6H3
InChIKeyUKYGDVJMKLPSHT-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.45
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103965734) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103965734
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCc1nc(C)c(CNC2CC(C)(C)CC(C)(C)C2)s1
InChIInChI=1S/C16H28N2S/c1-11-14(19-12(2)18-11)9-17-13-7-15(3,4)10-16(5,6)8-13/h13,17H,7-10H2,1-6H3
InChIKeyUKYGDVJMKLPSHT-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103965734) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is Cc1nc(C)c(CNC2CC(C)(C)CC(C)(C)C2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is UKYGDVJMKLPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11-14(19-12(2)18-11)9-17-13-7-15(3,4)10-16(5,6)8-13/h13,17H,7-10H2,1-6H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103965734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).