(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

C19H25NO — CID 97328250

IUPAC(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESc1ccc2c(c1)CC[C@H](N[C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2
InChIInChI=1S/C19H25NO/c1-2-5-14-12-15(7-6-13(14)4-1)20-17-16-8-11-21-18(16)19(17)9-3-10-19/h1-2,4-5,15-18,20H,3,6-12H2/t15-,16-,17+,18-/m0/s1
InChIKeyXZOVXEARMQFIAA-FJIDUMEYSA-N
MW283.41 g/mol
LogP3.09
Rot. Bonds2

About (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (PubChem CID 97328250) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.

Molecular Properties

Compound Name(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
PubChem CID97328250
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESc1ccc2c(c1)CC[C@H](N[C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2
InChIInChI=1S/C19H25NO/c1-2-5-14-12-15(7-6-13(14)4-1)20-17-16-8-11-21-18(16)19(17)9-3-10-19/h1-2,4-5,15-18,20H,3,6-12H2/t15-,16-,17+,18-/m0/s1
InChIKeyXZOVXEARMQFIAA-FJIDUMEYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The IUPAC name of (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (CID 97328250) is (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.
What is the SMILES notation for (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The canonical SMILES for (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is c1ccc2c(c1)CC[C@H](N[C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2.
What is the InChIKey of (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The InChIKey is XZOVXEARMQFIAA-FJIDUMEYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-5-14-12-15(7-6-13(14)4-1)20-17-16-8-11-21-18(16)19(17)9-3-10-19/h1-2,4-5,15-18,20H,3,6-12H2/t15-,16-,17+,18-/m0/s1.
What are the key properties of (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine has a molecular weight of 283.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is sourced from PubChem (CID 97328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).