1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine

C19H33NO — CID 105010294

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(C1CCC2CCCCC2C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H33NO/c20-18(17-8-11-21-19(13-17)9-3-10-19)16-7-6-14-4-1-2-5-15(14)12-16/h14-18H,1-13,20H2
InChIKeyRBSWKLZNZXFKRM-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.27
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 105010294) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID105010294
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(C1CCC2CCCCC2C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H33NO/c20-18(17-8-11-21-19(13-17)9-3-10-19)16-7-6-14-4-1-2-5-15(14)12-16/h14-18H,1-13,20H2
InChIKeyRBSWKLZNZXFKRM-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018043
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
2-cyclopentylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911507

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 105010294) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine is NC(C1CCC2CCCCC2C1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is RBSWKLZNZXFKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c20-18(17-8-11-21-19(13-17)9-3-10-19)16-7-6-14-4-1-2-5-15(14)12-16/h14-18H,1-13,20H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 291.48 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 105010294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).