N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine

C17H29NOS — CID 107558162

IUPACN-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COC2CC(C)CC(C)(C)C2)s1
InChIInChI=1S/C17H29NOS/c1-5-18-11-15-6-7-16(20-15)12-19-14-8-13(2)9-17(3,4)10-14/h6-7,13-14,18H,5,8-12H2,1-4H3
InChIKeyMEBBMAOJAWTPQY-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.59
Rot. Bonds6

About N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107558162) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107558162
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COC2CC(C)CC(C)(C)C2)s1
InChIInChI=1S/C17H29NOS/c1-5-18-11-15-6-7-16(20-15)12-19-14-8-13(2)9-17(3,4)10-14/h6-7,13-14,18H,5,8-12H2,1-4H3
InChIKeyMEBBMAOJAWTPQY-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-methyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456208
N-[[2-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62455464
1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
CID 63458050
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558997
N-methyl-2-[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349666
N-ethyl-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
CID 62465508
N-ethyl-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-4-amine
CID 79251421
N-[[3-(3,3,5-trimethylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine
CID 105075023
3-bromo-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophene
CID 63458381
4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzenecarbothioamide
CID 43128226
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62458109

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine (CID 107558162) is N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COC2CC(C)CC(C)(C)C2)s1.
What is the InChIKey of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is MEBBMAOJAWTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-5-18-11-15-6-7-16(20-15)12-19-14-8-13(2)9-17(3,4)10-14/h6-7,13-14,18H,5,8-12H2,1-4H3.
What are the key properties of N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 295.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).