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

C17H30N2OS — CID 116774611

IUPACN-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C17H30N2OS/c1-6-11-18-13(2)14-12-21-15(19-14)17(20-5)9-7-16(3,4)8-10-17/h12-13,18H,6-11H2,1-5H3
InChIKeyDIJRNPDCSNLZLS-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.65
Rot. Bonds6

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

N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 116774611) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID116774611
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C17H30N2OS/c1-6-11-18-13(2)14-12-21-15(19-14)17(20-5)9-7-16(3,4)8-10-17/h12-13,18H,6-11H2,1-5H3
InChIKeyDIJRNPDCSNLZLS-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 116774601
N-[1-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 80684801
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116774588
4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole
CID 116782731
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
3,3-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 80699573
N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774761
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
CID 116744684
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 116774611) is N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(C2(OC)CCC(C)(C)CC2)n1.
What is the InChIKey of N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is DIJRNPDCSNLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-6-11-18-13(2)14-12-21-15(19-14)17(20-5)9-7-16(3,4)8-10-17/h12-13,18H,6-11H2,1-5H3.
What are the key properties of N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 116774611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).