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

C17H30N2OS — CID 116774761

IUPACN-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCCOC1(c2nc(CNC(C)C)cs2)CCC(C)(C)CC1
InChIInChI=1S/C17H30N2OS/c1-6-20-17(9-7-16(4,5)8-10-17)15-19-14(12-21-15)11-18-13(2)3/h12-13,18H,6-11H2,1-5H3
InChIKeyDOMJAUWPCICQHU-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.47
Rot. Bonds6

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

N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 116774761) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID116774761
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCCOC1(c2nc(CNC(C)C)cs2)CCC(C)(C)CC1
InChIInChI=1S/C17H30N2OS/c1-6-20-17(9-7-16(4,5)8-10-17)15-19-14(12-21-15)11-18-13(2)3/h12-13,18H,6-11H2,1-5H3
InChIKeyDOMJAUWPCICQHU-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774611
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
2-(1-ethoxycyclopentyl)-1,3-thiazol-4-amine
CID 116782573
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 116774761) is N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CCOC1(c2nc(CNC(C)C)cs2)CCC(C)(C)CC1.
What is the InChIKey of N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is DOMJAUWPCICQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-6-20-17(9-7-16(4,5)8-10-17)15-19-14(12-21-15)11-18-13(2)3/h12-13,18H,6-11H2,1-5H3.
What are the key properties of N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116774761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).