N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

C17H30N2OS — CID 114342496

IUPACN-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(OCc2csc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)18-10-15-19-13(12-21-15)11-20-14-6-8-17(4,5)9-7-14/h12,14,18H,6-11H2,1-5H3
InChIKeyVSBIYSKBGITYMZ-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.52
Rot. Bonds5

About N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114342496) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID114342496
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(OCc2csc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C17H30N2OS/c1-16(2,3)18-10-15-19-13(12-21-15)11-20-14-6-8-17(4,5)9-7-14/h12,14,18H,6-11H2,1-5H3
InChIKeyVSBIYSKBGITYMZ-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
CID 114341140
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671
4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 114340364
2-methyl-N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62440700
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62486890
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106449918
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441066
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
N-methyl-1-[4-(oxetan-3-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 102608135
N-[[6-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114342313

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 114342496) is N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CC1(C)CCC(OCc2csc(CNC(C)(C)C)n2)CC1.
What is the InChIKey of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VSBIYSKBGITYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-16(2,3)18-10-15-19-13(12-21-15)11-20-14-6-8-17(4,5)9-7-14/h12,14,18H,6-11H2,1-5H3.
What are the key properties of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114342496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).