N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine

C15H26N2OS — CID 116774736

IUPACN-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N2OS/c1-5-16-10-12-11-19-13(17-12)15(18-4)8-6-14(2,3)7-9-15/h11,16H,5-10H2,1-4H3
InChIKeyVMZBXECJNQPXEK-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.69
Rot. Bonds5

About N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 116774736) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID116774736
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N2OS/c1-5-16-10-12-11-19-13(17-12)15(18-4)8-6-14(2,3)7-9-15/h11,16H,5-10H2,1-4H3
InChIKeyVMZBXECJNQPXEK-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774761
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774708
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774707
N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774611
4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole
CID 116782731
4-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116744317
ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
CID 116744539
2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetic acid
CID 116744490

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 116774736) is N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C2(OC)CCC(C)(C)CC2)n1.
What is the InChIKey of N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is VMZBXECJNQPXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-16-10-12-11-19-13(17-12)15(18-4)8-6-14(2,3)7-9-15/h11,16H,5-10H2,1-4H3.
What are the key properties of N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 282.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116774736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).