(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene

C11H15N — CID 126607025

IUPAC(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene
SMILESCC1=CC2(C=NC(C)=C1)C[C@@H]2C
InChIInChI=1S/C11H15N/c1-8-4-10(3)12-7-11(5-8)6-9(11)2/h4-5,7,9H,6H2,1-3H3/t9-,11?/m0/s1
InChIKeyXZOSQZHKEPRCOS-FTNKSUMCSA-N
MW161.25 g/mol
LogP2.95
Rot. Bonds

About (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene

(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene (PubChem CID 126607025) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene.

Molecular Properties

Compound Name(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene
PubChem CID126607025
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene
SMILESCC1=CC2(C=NC(C)=C1)C[C@@H]2C
InChIInChI=1S/C11H15N/c1-8-4-10(3)12-7-11(5-8)6-9(11)2/h4-5,7,9H,6H2,1-3H3/t9-,11?/m0/s1
InChIKeyXZOSQZHKEPRCOS-FTNKSUMCSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene?
The IUPAC name of (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene (CID 126607025) is (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene.
What is the SMILES notation for (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene?
The canonical SMILES for (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene is CC1=CC2(C=NC(C)=C1)C[C@@H]2C.
What is the InChIKey of (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene?
The InChIKey is XZOSQZHKEPRCOS-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H15N/c1-8-4-10(3)12-7-11(5-8)6-9(11)2/h4-5,7,9H,6H2,1-3H3/t9-,11?/m0/s1.
What are the key properties of (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene?
(2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene has a molecular weight of 161.25 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6,8-trimethyl-5-azaspiro[2.6]nona-4,6,8-triene is sourced from PubChem (CID 126607025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).