N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine

C16H25NOS — CID 80526769

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)(CNC1CCOC2(CCC2)C1)c1cccs1
InChIInChI=1S/C16H25NOS/c1-15(2,14-5-3-10-19-14)12-17-13-6-9-18-16(11-13)7-4-8-16/h3,5,10,13,17H,4,6-9,11-12H2,1-2H3
InChIKeyFMWBIFDOFSAUDS-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.72
Rot. Bonds4

About N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 80526769) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID80526769
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCC(C)(CNC1CCOC2(CCC2)C1)c1cccs1
InChIInChI=1S/C16H25NOS/c1-15(2,14-5-3-10-19-14)12-17-13-6-9-18-16(11-13)7-4-8-16/h3,5,10,13,17H,4,6-9,11-12H2,1-2H3
InChIKeyFMWBIFDOFSAUDS-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine
CID 80526351
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895882
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70727079
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine (CID 80526769) is N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine is CC(C)(CNC1CCOC2(CCC2)C1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is FMWBIFDOFSAUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-15(2,14-5-3-10-19-14)12-17-13-6-9-18-16(11-13)7-4-8-16/h3,5,10,13,17H,4,6-9,11-12H2,1-2H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 279.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 80526769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).