(1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane

C15H26N2 — CID 141201172

IUPAC(1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane
SMILESCC1(C)[C@@H]2CC[C@]1(C)C1NNC(C3CC3)CC12
InChIInChI=1S/C15H26N2/c1-14(2)11-6-7-15(14,3)13-10(11)8-12(16-17-13)9-4-5-9/h9-13,16-17H,4-8H2,1-3H3/t10?,11-,12?,13?,15-/m1/s1
InChIKeyWLYSMOVLXIPVOE-HHMUJYPWSA-N
MW234.39 g/mol
LogP2.70
Rot. Bonds1

About (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane

(1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane (PubChem CID 141201172) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name(1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane
PubChem CID141201172
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane
SMILESCC1(C)[C@@H]2CC[C@]1(C)C1NNC(C3CC3)CC12
InChIInChI=1S/C15H26N2/c1-14(2)11-6-7-15(14,3)13-10(11)8-12(16-17-13)9-4-5-9/h9-13,16-17H,4-8H2,1-3H3/t10?,11-,12?,13?,15-/m1/s1
InChIKeyWLYSMOVLXIPVOE-HHMUJYPWSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane with MolForge

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Related Compounds

(1S,2R,4S,6R,7S)-1,10,10-trimethyl-4-[[(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 97299593
(1S,8R)-1,11,11-trimethyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-3,4-diazatricyclo[6.2.1.02,7]undecane
CID 141323120
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
1,10,10-trimethyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
CID 2750624
(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 12916575
CID 136835222
CID 136835222
(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
CID 18389887
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
1,3,11,11-tetramethyl-3-azatricyclo[6.2.1.02,7]undecane
CID 18711519
(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane
CID 70487131
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
CID 18596078

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane?
The IUPAC name of (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane (CID 141201172) is (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane?
The canonical SMILES for (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane is CC1(C)[C@@H]2CC[C@]1(C)C1NNC(C3CC3)CC12.
What is the InChIKey of (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane?
The InChIKey is WLYSMOVLXIPVOE-HHMUJYPWSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2)11-6-7-15(14,3)13-10(11)8-12(16-17-13)9-4-5-9/h9-13,16-17H,4-8H2,1-3H3/t10?,11-,12?,13?,15-/m1/s1.
What are the key properties of (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane?
(1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane has a molecular weight of 234.39 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 141201172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).