5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine

C18H27NOS — CID 105010365

IUPAC5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCCCC2)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H27NOS/c19-17(14-7-10-20-18(12-14)8-4-9-18)16-11-13-5-2-1-3-6-15(13)21-16/h11,14,17H,1-10,12,19H2
InChIKeyRJGPSUPNCVFYCA-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.37
Rot. Bonds2

About 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine

5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine (PubChem CID 105010365) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
PubChem CID105010365
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCCCC2)C1CCOC2(CCC2)C1
InChIInChI=1S/C18H27NOS/c19-17(14-7-10-20-18(12-14)8-4-9-18)16-11-13-5-2-1-3-6-15(13)21-16/h11,14,17H,1-10,12,19H2
InChIKeyRJGPSUPNCVFYCA-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016692
2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115823293
(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016183
(5-bromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915556
(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 114031677
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115783913
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105016956
5-oxaspiro[3.5]nonan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115783848
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
(4-bromothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914594
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine (CID 105010365) is 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine is NC(c1cc2c(s1)CCCCC2)C1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
The InChIKey is RJGPSUPNCVFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c19-17(14-7-10-20-18(12-14)8-4-9-18)16-11-13-5-2-1-3-6-15(13)21-16/h11,14,17H,1-10,12,19H2.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine?
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine has a molecular weight of 305.49 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine is sourced from PubChem (CID 105010365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).