(2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C13H18N2 — CID 118055318

IUPAC(2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESC[C@@H]1c2cccc3c2N(CCNC3)[C@@H]1C
InChIInChI=1S/C13H18N2/c1-9-10(2)15-7-6-14-8-11-4-3-5-12(9)13(11)15/h3-5,9-10,14H,6-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFNXSPNNLGYRBKE-VHSXEESVSA-N
MW202.30 g/mol
LogP2.10
Rot. Bonds

About (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

(2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055318) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055318
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESC[C@@H]1c2cccc3c2N(CCNC3)[C@@H]1C
InChIInChI=1S/C13H18N2/c1-9-10(2)15-7-6-14-8-11-4-3-5-12(9)13(11)15/h3-5,9-10,14H,6-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFNXSPNNLGYRBKE-VHSXEESVSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055318) is (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is C[C@@H]1c2cccc3c2N(CCNC3)[C@@H]1C.
What is the InChIKey of (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is FNXSPNNLGYRBKE-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-10(2)15-7-6-14-8-11-4-3-5-12(9)13(11)15/h3-5,9-10,14H,6-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
(2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 202.30 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).