1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine

C16H27NOS — CID 116768795

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCCOC1(C(NC)c2cccs2)CCC(C)(C)CC1
InChIInChI=1S/C16H27NOS/c1-5-18-16(10-8-15(2,3)9-11-16)14(17-4)13-7-6-12-19-13/h6-7,12,14,17H,5,8-11H2,1-4H3
InChIKeyOCPZYHMUHGNVLT-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.38
Rot. Bonds5

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 116768795) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID116768795
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCCOC1(C(NC)c2cccs2)CCC(C)(C)CC1
InChIInChI=1S/C16H27NOS/c1-5-18-16(10-8-15(2,3)9-11-16)14(17-4)13-7-6-12-19-13/h6-7,12,14,17H,5,8-11H2,1-4H3
InChIKeyOCPZYHMUHGNVLT-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 116768821
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 116768742
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848
[(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105277891
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 116768863
[(5-chlorothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277901
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 116768916
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 116768795) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine is CCOC1(C(NC)c2cccs2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is OCPZYHMUHGNVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-18-16(10-8-15(2,3)9-11-16)14(17-4)13-7-6-12-19-13/h6-7,12,14,17H,5,8-11H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 281.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 116768795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).