(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

C15H22N2 — CID 124647429

IUPAC(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESC[C@H]1CN2CCNCc3cccc(c32)C1(C)C
InChIInChI=1S/C15H22N2/c1-11-10-17-8-7-16-9-12-5-4-6-13(14(12)17)15(11,2)3/h4-6,11,16H,7-10H2,1-3H3/t11-/m0/s1
InChIKeyNABGIQANRBKJGO-NSHDSACASA-N
MW230.35 g/mol
LogP2.52
Rot. Bonds

About (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (PubChem CID 124647429) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.

Molecular Properties

Compound Name(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
PubChem CID124647429
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESC[C@H]1CN2CCNCc3cccc(c32)C1(C)C
InChIInChI=1S/C15H22N2/c1-11-10-17-8-7-16-9-12-5-4-6-13(14(12)17)15(11,2)3/h4-6,11,16H,7-10H2,1-3H3/t11-/m0/s1
InChIKeyNABGIQANRBKJGO-NSHDSACASA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene with MolForge

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Related Compounds

4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 86712750
(12R,16S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;ethane
CID 90724531
3,3,11-trimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 123666070
(12S)-7,10-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CID 132502238
(2S,3R)-2,3-dimethyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055320
(8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
CID 10149473
(2S,8R)-10,13-diazatetracyclo[8.8.1.02,8.015,19]nonadeca-1(18),15(19),16-triene
CID 16736934
5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055341
5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055306
(4S)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364458
(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
CID 23652290
1-(7,10,16-triazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-trien-2-yl)cyclobutan-1-ol
CID 90006533

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The IUPAC name of (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (CID 124647429) is (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.
What is the SMILES notation for (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The canonical SMILES for (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is C[C@H]1CN2CCNCc3cccc(c32)C1(C)C.
What is the InChIKey of (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The InChIKey is NABGIQANRBKJGO-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2/c1-11-10-17-8-7-16-9-12-5-4-6-13(14(12)17)15(11,2)3/h4-6,11,16H,7-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene has a molecular weight of 230.35 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is sourced from PubChem (CID 124647429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).