[(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone

C17H26N2O2 — CID 167144815

IUPAC[(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone
SMILESN[C@]12C3CCC(C31)[C@]21CCC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H26N2O2/c18-17-13-4-3-12(14(13)17)16(17)5-1-2-11(10-16)15(20)19-6-8-21-9-7-19/h11-14H,1-10,18H2/t11-,12?,13?,14?,16+,17+/m0/s1
InChIKeyRTMSNFRJUJSETP-UPDTZHGNSA-N
MW290.41 g/mol
LogP1.39
Rot. Bonds1

About [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone

[(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone (PubChem CID 167144815) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone
PubChem CID167144815
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone
SMILESN[C@]12C3CCC(C31)[C@]21CCC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H26N2O2/c18-17-13-4-3-12(14(13)17)16(17)5-1-2-11(10-16)15(20)19-6-8-21-9-7-19/h11-14H,1-10,18H2/t11-,12?,13?,14?,16+,17+/m0/s1
InChIKeyRTMSNFRJUJSETP-UPDTZHGNSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
CID 170440022
[(1'S,2R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
CID 167144777
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
[1-(1-aminocyclopentanecarbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 60939117
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
[(4R,5R)-2,2-dimethyl-5-(morpholine-4-carbonyl)-1,3-dioxolan-4-yl]-morpholin-4-ylmethanone
CID 24881834

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone (CID 167144815) is [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone is N[C@]12C3CCC(C31)[C@]21CCC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone?
The InChIKey is RTMSNFRJUJSETP-UPDTZHGNSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-17-13-4-3-12(14(13)17)16(17)5-1-2-11(10-16)15(20)19-6-8-21-9-7-19/h11-14H,1-10,18H2/t11-,12?,13?,14?,16+,17+/m0/s1.
What are the key properties of [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone?
[(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,7'R)-7'-aminospiro[cyclohexane-3,6'-tricyclo[3.2.0.02,7]heptane]-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167144815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).