N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

C18H29NOS — CID 105016723

IUPACN-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H29NOS/c1-4-19-17(16-11-13(2)14(3)21-16)15-7-10-20-18(12-15)8-5-6-9-18/h11,15,17,19H,4-10,12H2,1-3H3
InChIKeyULRTXLRWNIOBQB-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.75
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 105016723) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID105016723
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H29NOS/c1-4-19-17(16-11-13(2)14(3)21-16)15-7-10-20-18(12-15)8-5-6-9-18/h11,15,17,19H,4-10,12H2,1-3H3
InChIKeyULRTXLRWNIOBQB-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017030
[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325420
[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325176
N-[(4,5-dibromothiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010368
[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323230
N-[(4-methoxythiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010344
N-[(2,6-dimethyl-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107503959
N-[(2,5-dichlorothiophen-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107968699
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134
N-[(4-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79909990
N-[furan-2-yl(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 79914001
N-[(2-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010288

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 105016723) is N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(c1cc(C)c(C)s1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is ULRTXLRWNIOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-4-19-17(16-11-13(2)14(3)21-16)15-7-10-20-18(12-15)8-5-6-9-18/h11,15,17,19H,4-10,12H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 307.50 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 105016723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).