(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C17H27NO2 — CID 116580741

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESNC1C2CCC(C2)C1C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H27NO2/c18-15-12-4-3-11(9-12)14(15)16(19)13-5-8-20-17(10-13)6-1-2-7-17/h11-15H,1-10,18H2
InChIKeyBLUHVIJJPBIIFT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.67
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 116580741) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID116580741
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESNC1C2CCC(C2)C1C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H27NO2/c18-15-12-4-3-11(9-12)14(15)16(19)13-5-8-20-17(10-13)6-1-2-7-17/h11-15H,1-10,18H2
InChIKeyBLUHVIJJPBIIFT-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116580845
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
6-azaspiro[2.5]octan-2-yl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116573069
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 116580741) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is NC1C2CCC(C2)C1C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is BLUHVIJJPBIIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c18-15-12-4-3-11(9-12)14(15)16(19)13-5-8-20-17(10-13)6-1-2-7-17/h11-15H,1-10,18H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 277.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 116580741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).